Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98293 | Target Info | |||
| Target Name | PAK-4 protein kinase (PAK4) | ||||
| Synonyms | p21-activated kinase 4; Serine/threonine-protein kinase PAK 4; PAK-4; KIAA1142 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PAK4 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | L-serine-O-phosphate | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | ||||
| InChIKey | BZQFBWGGLXLEPQ-REOHCLBHSA-N | ||||
| PubChem Compound ID | 68841 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4FIE Full-length human PAK4 | ||||||
| Method | X-ray diffraction | Resolution | 3.11 Å | Mutation | No | [1] |
| PDB Sequence |
RPKPLVDQRV
299 SHEQFRAALQ309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV 349 KKMDLRKQQR359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE 399 GGALTDIVTH409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT 449 HDGRVKLSDF459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS 500 LGIMVIEMVD510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD 550 RLLVRDPAQR560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNRT590 |
|||||
|
|
||||||
| PDB ID: 4JDI Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide S peptide substrate | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [2] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
|
|||||
|
|
||||||
| PDB ID: 5UPK CDC42 binds PAK4 via an extended GTPase-effector interface - 3 peptide: PAK4cat, PAK4-N45, CDC42 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [3] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQN
|
|||||
|
|
||||||
| PDB ID: 4FIF Catalytic domain of human PAK4 with RPKPLVDP peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
PQRVSHEQFR
305 AALQLVVDPG315 DPRSYLDNFI325 KIGEGSTGIV335 CIATVRSSGK345 LVAVKKMDLR 355 KQQRRELLFN365 EVVIMRDYQH375 ENVVEMYNSY385 LVGDELWVVM395 EFLEGGALTD 405 IVTHTRMNEE415 QIAAVCLAVL425 QALSVLHAQG435 VIHRDIKSDS445 ILLTHDGRVK 455 LSDFGFCAQV465 SKEVPRRKLV476 GTPYWMAPEL486 ISRLPYGPEV496 DIWSLGIMVI 506 EMVDGEPPYF516 NEPPLKAMKM526 IRDNLPPRLK536 NLHKVSPSLK546 GFLDRLLVRD 556 PAQRATAAEL566 LKHPFLAKAG576 PPASIVPLMR586 QNR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4FIG Catalytic domain of human PAK4 | ||||||
| Method | X-ray diffraction | Resolution | 3.01 Å | Mutation | No | [1] |
| PDB Sequence |
RVSHEQFRAA
307 LQLVVDPGDP317 RSYLDNFIKI327 GEGSTGIVCI337 ATVRSSGKLV347 AVKKMDLRKQ 357 QRRELLFNEV367 VIMRDYQHEN377 VVEMYNSYLV387 GDELWVVMEF397 LEGGALTDIV 407 THTRMNEEQI417 AAVCLAVLQA427 LSVLHAQGVI437 HRDIKSDSIL447 LTHDGRVKLS 457 DFGFCAQVSK467 EVPRRKLVGT478 PYWMAPELIS488 RLPYGPEVDI498 WSLGIMVIEM 508 VDGEPPYFNE518 PPLKAMKMIR528 DNLPPRLKNL538 HKVSPSLKGF548 LDRLLVRDPA 558 QRATAAELLK568 HPFLAKAGPP578 ASIVPLMRQN588 RT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VEF PAK4 kinase domain in complex with fasudil | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [4] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VED PAK4 kinase domain in complex with Staurosporine | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VEE PAK4 kinase domain in complex with FRAX486 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [4] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2CDZ CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
VSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRGKLVAVK350 KMDLRKQQRR 360 ELLFNEVVIM370 RDYQHENVVE380 MYNSYLVGDE390 LWVVMEFLEG400 GALTDIVTHT 410 RMNEEQIAAV420 CLAVLQALSV430 LHAQGVIHRD440 IKSDSILLTH450 DGRVKLSDFG 460 FCAQVSKEVP470 RRKLVGTPYW481 MAPELISRLP491 YGPEVDIWSL501 GIMVIEMVDG 511 EPPYFNEPPL521 KAMKMIRDNL531 PPRLKNLHKV541 SPSLKGFLDR551 LLVRDPAQRA 561 TAAELLKHPF571 LAKAGPPASI581 VPLMRQNRT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 8AHG PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | ||||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | Yes | [6] |
| PDB Sequence |
SSHEQFRAAL
308 QAVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 8AHH PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | ||||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | Yes | [6] |
| PDB Sequence |
SSHEQFRAAL
308 QAVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 8AHI PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | ||||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | Yes | [6] |
| PDB Sequence |
SHEQFRAALQ
309 AVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNRT590 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2X4Z Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [7] |
| PDB Sequence |
MSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 T
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4APP Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [8] |
| PDB Sequence |
MSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4NJD Structure of p21-activated kinase 4 with a novel inhibitor KY-04031 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [9] |
| PDB Sequence |
MSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5I0B Structure of PAK4 | ||||||
| Method | X-ray diffraction | Resolution | 3.09 Å | Mutation | No | [10] |
| PDB Sequence |
HEQFRAALQL
310 VVDPGDPRSY320 LDNFIKIGEG330 STGIVCIATV340 RSSGKLVAVK350 KMDLRKQQRR 360 ELLFNEVVIM370 RDYQHENVVE380 MYNSYLVGDE390 LWVVMEFLEG400 GALTDIVTHT 410 RMNEEQIAAV420 CLAVLQALSV430 LHAQGVIHRD440 IKSDSILLTH450 DGRVKLSDFG 460 FCAQVSKEVP470 RRKLVGTPYW481 MAPELISRLP491 YGPEVDIWSL501 GIMVIEMVDG 511 EPPYFNEPPL521 KAMKMIRDNL531 PPRLKNLHKV541 SPSLKGFLDR551 LLVRDPAQRA 561 TAAELLKHPF571 LAKAGPPASI581 VPLMRQNR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5ZJW Crystal Structure of PAK4 in complex with inhibitor CZg353 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [11] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:365 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5XVA Crystal Structure of PAK4 in complex with inhibitor CZH216 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [12] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5XVG Crystal Structure of PAK4 in complex with inhibitor CZH226 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [12] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589 TR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4O0Y Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [13] |
| PDB Sequence |
GSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4O0X Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | No | [13] |
| PDB Sequence |
GSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7CMB Crystal Structure of PAK4 in complex with inhibitor 41 | ||||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | No | [14] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:362 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4O0V Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [13] |
| PDB Sequence |
GSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5BMS Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29 | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [15] |
| PDB Sequence |
GSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQNR589
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7CP4 Crystal Structure of PAK4 in complex with inhibitor 55 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [16] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNRT590 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:361 or .A:362 or .A:365 or .A:439 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:489 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7CP3 Crystal Structure of PAK4 in complex with inhibitor 47 | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [17] |
| PDB Sequence |
SHEQFRAALQ
309 LVVDPGDPRS319 YLDNFIKIGE329 GSTGIVCIAT339 VRSSGKLVAV349 KKMDLRKQQR 359 RELLFNEVVI369 MRDYQHENVV379 EMYNSYLVGD389 ELWVVMEFLE399 GGALTDIVTH 409 TRMNEEQIAA419 VCLAVLQALS429 VLHAQGVIHR439 DIKSDSILLT449 HDGRVKLSDF 459 GFCAQVSKEV469 PRRKLVGTPY480 WMAPELISRL490 PYGPEVDIWS500 LGIMVIEMVD 510 GEPPYFNEPP520 LKAMKMIRDN530 LPPRLKNLHK540 VSPSLKGFLD550 RLLVRDPAQR 560 ATAAELLKHP570 FLAKAGPPAS580 IVPLMRQNR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:492; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5XVF Crystal Structure of PAK4 in complex with inhibitor CZH062 | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [12] |
| PDB Sequence |
SSHEQFRAAL
308 QLVVDPGDPR318 SYLDNFIKIG328 EGSTGIVCIA338 TVRSSGKLVA348 VKKMDLRKQQ 358 RRELLFNEVV368 IMRDYQHENV378 VEMYNSYLVG388 DELWVVMEFL398 EGGALTDIVT 408 HTRMNEEQIA418 AVCLAVLQAL428 SVLHAQGVIH438 RDIKSDSILL448 THDGRVKLSD 458 FGFCAQVSKE468 VPRRKLVGTP479 YWMAPELISR489 LPYGPEVDIW499 SLGIMVIEMV 509 DGEPPYFNEP519 PLKAMKMIRD529 NLPPRLKNLH539 KVSPSLKGFL549 DRLLVRDPAQ 559 RATAAELLKH569 PFLAKAGPPA579 SIVPLMRQN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:359 or .A:439 or .A:463 or .A:472 or .A:473 or .A:475 or .A:476 or .A:486 or .A:492; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate. Proc Natl Acad Sci U S A. 2012 Oct 2;109(40):16107-12. | ||||
| REF 2 | Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity. Mol Cell. 2014 Jan 9;53(1):140-7. | ||||
| REF 3 | CDC42 binds PAK4 via an extended GTPase-effector interface. Proc Natl Acad Sci U S A. 2018 Jan 16;115(3):531-536. | ||||
| REF 4 | PAK4 crystal structures suggest unusual kinase conformational movements. Biochim Biophys Acta Proteins Proteom. 2018 Feb;1866(2):356-365. | ||||
| REF 5 | Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs. Structure. 2007 Feb;15(2):201-13. | ||||
| REF 6 | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. RSC Med Chem. 2022 Aug 26;13(11):1341-1349. | ||||
| REF 7 | Small-molecule p21-activated kinase inhibitor PF-3758309 is a potent inhibitor of oncogenic signaling and tumor growth. Proc Natl Acad Sci U S A. 2010 May 18;107(20):9446-51. | ||||
| REF 8 | Discovery of pyrroloaminopyrazoles as novel PAK inhibitors. J Med Chem. 2012 May 24;55(10):4728-39. | ||||
| REF 9 | Discovery and the structural basis of a novel p21-activated kinase 4 inhibitor. Cancer Lett. 2014 Jul 10;349(1):45-50. | ||||
| REF 10 | The discovery and the structural basis of an imidazo[4,5-b]pyridine-based p21-activated kinase 4 inhibitor. Bioorg Med Chem Lett. 2016 Jun 1;26(11):2580-3. | ||||
| REF 11 | Crystal Structure of PAK4 in complex with inhibitor CZg353 | ||||
| REF 12 | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J Med Chem. 2018 Jan 11;61(1):265-285. | ||||
| REF 13 | Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors. J Med Chem. 2014 Feb 13;57(3):1033-45. | ||||
| REF 14 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors | ||||
| REF 15 | Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors. J Med Chem. 2015 Jun 25;58(12):5121-36. | ||||
| REF 16 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors | ||||
| REF 17 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.