Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T64553 | Target Info | |||
| Target Name | Tyrosine-protein kinase ZAP-70 (ZAP-70) | ||||
| Synonyms | Syk-related tyrosine kinase; SRK; 70 kDa zeta-chain associated protein | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | ZAP70 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Autoinhibited intact human ZAP-70 | PDB:2OZO | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
PDPAAHLPFF
11 YGSISRAEAE21 EHLKLAGMAD31 GLFLLRQCLR41 SLGGYVLSLV51 HDVRFHHFPI 61 ERQLNGTYAI71 AGGKAHCGPA81 ELCEFYSRDP91 DGLPCNLRKP101 CNRPSGLEPQ 111 PGVFDCLRDA121 MVRDYVRQTW131 KLEGEALEQA141 IISQAPQVEK151 LIATTAHERM 161 PWYHSSLTRE171 EAERKLYSGA181 QTDGKFLLRP191 RKEQGTYALS201 LIYGKTVYHY 211 LISQDKAGKY221 CIPEGTKFDT231 LWQLVEYLKL241 KADGLIYCLK251 EACPNMDTSV 314 FESPFSDPEE324 LKDKKLFLKR334 DNLLIADIEL344 GCGNFGSVRQ354 GVYRMRKKQI 364 DVAIKVLKQG374 TEKADTEEMM384 REAQIMHQLD394 NPYIVRLIGV404 CQAEALMLVM 414 EMAGGGPLHK424 FLVGKREEIP434 VSNVAELLHQ444 VSMGMKYLEE454 KNFVHRNLAA 464 RNVLLVNRHY474 AKISDFGLSK484 ALGPLKWYAP508 ECINFRKFSS518 RSDVWSYGVT 528 MWEALSYGQK538 PYKKMKGPEV548 MAFIEQGKRM558 ECPPECPPEL568 YALMSDCWIY 578 KWEDRPDFLT588 VEQRMRACYY598 SLASKVEGGS608 ALEVA
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LEU344
3.402
GLY345
4.302
CYS346
3.629
GLY347
3.282
ASN348
3.087
PHE349
3.524
GLY350
4.218
VAL352
3.567
ALA367
3.315
LYS369
3.180
VAL399
4.035
MET414
3.900
GLU415
3.000
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Staurosporine | Ligand Info | |||||
| Structure Description | Crystal Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine | PDB:1U59 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
KKLFLKRDNL
337 LIADIELGCG347 NFGSVRQGVY357 RKQIDVAIKV370 LKQGTEKADT380 EEMMREAQIM 390 HQLDNPYIVR400 LIGVCQAEAL410 MLVMEMAGGG420 PLHKFLVGKR430 EEIPVSNVAE 440 LLHQVSMGMK450 YLEEKNFVHR460 DLAARNVLLV470 NRHYAKISDF480 GLSKALGADD 490 SYYTARSAGK500 WPLKWYAPEC510 INFRKFSSRS520 DVWSYGVTMW530 EALSYGQKPY 540 KKMKGPEVMA550 FIEQGKRMEC560 PPECPPELYA570 LMSDCWIYKW580 EDRPDFLTVE 590 QRMRACYYSL600 ASKVEGHHHH610 HH
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LEU344
3.235
GLY345
3.336
CYS346
4.099
PHE349
4.555
VAL352
3.637
ALA367
3.237
LYS369
4.185
GLU386
4.247
VAL399
4.036
MET414
3.614
GLU415
2.949
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| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | ZAP-70-tSH2:Compound-B adduct | PDB:4XZ1 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [3] |
| PDB Sequence |
DPAAHLPFFY
12 GSISRAEAEE22 HLKLAGMADG32 LFLLRQCLRS42 LGGYVLSLVH52 DVRFHHFPIE 62 RQLNGTYAIA72 GGKAHCGPAE82 LCEFYSRDPD92 GLPCNLRKPC102 NRPSGLEPQP 112 GVFDSLRDAM122 VRDYVRQTWK132 LEGEALEQAI142 ISQAPQVEKL152 IATTAHERMP 162 WYHSSLTREE172 AERKLYSGAQ182 TDGKFLLRPR192 KEQGTYALSL202 IYGKTVYHYL 212 ISQDKAGKYC222 IPEGTKFDTL232 WQLVEYLKLK242 ADGLIYCLKE252 ACPN |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:16 or .A:17 or .A:37 or .A:40 or .A:41 or .A:47 or .A:58 or .A:59 or .A:60 or .A:170 or .A:190 or .A:192 or .A:199 or .A:200 or .A:210 or .A:211 or .A:212 or .A:227 or .A:238 or .A:242; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone | Ligand Info | |||||
| Structure Description | ZAP-70-tSH2:compound-A complex | PDB:4XZ0 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
HMPDPAAHLP
9 FFYGSISRAE19 AEEHLKLAGM29 ADGLFLLRQC39 LRSLGGYVLS49 LVHDVRFHHF 59 PIERQLNGTY69 AIAGGKAHCG79 PAELCEFYSR89 DPDGLPCNLR99 KPCNRPSGLE 109 PQPGVFDCLR119 DAMVRDYVRQ129 TWKLEGEALE139 QAIISQAPQV149 EKLIATTAHE 159 RMPWYHSSLT169 REEAERKLYS179 GAQTDGKFLL189 RPRKEQGTYA199 LSLIYGKTVY 209 HYLISQDKAG219 KYCIPEGTKF229 DTLWQLVEYL239 KLKADGLIYC249 LKEACPNS |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4N5 or .4N52 or .4N53 or :34N5;style chemicals stick;color identity;select .A:117 or .A:120 or .A:121 or .A:122 or .A:160 or .A:161 or .A:162 or .A:233; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol | Ligand Info | |||||
| Structure Description | ZAP-70-tSH2:Compound-B adduct | PDB:4XZ1 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [3] |
| PDB Sequence |
DPAAHLPFFY
12 GSISRAEAEE22 HLKLAGMADG32 LFLLRQCLRS42 LGGYVLSLVH52 DVRFHHFPIE 62 RQLNGTYAIA72 GGKAHCGPAE82 LCEFYSRDPD92 GLPCNLRKPC102 NRPSGLEPQP 112 GVFDSLRDAM122 VRDYVRQTWK132 LEGEALEQAI142 ISQAPQVEKL152 IATTAHERMP 162 WYHSSLTREE172 AERKLYSGAQ182 TDGKFLLRPR192 KEQGTYALSL202 IYGKTVYHYL 212 ISQDKAGKYC222 IPEGTKFDTL232 WQLVEYLKLK242 ADGLIYCLKE252 ACPN |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4N6 or .4N62 or .4N63 or :34N6;style chemicals stick;color identity;select .A:66 or .A:67 or .A:68 or .A:77 or .A:78 or .A:79; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for the inhibition of tyrosine kinase activity of ZAP-70. Cell. 2007 May 18;129(4):735-46. | ||||
| REF 2 | The three-dimensional structure of the ZAP-70 kinase domain in complex with staurosporine: implications for the design of selective inhibitors. J Biol Chem. 2004 Oct 8;279(41):42818-25. | ||||
| REF 3 | Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding. Biochem J. 2015 Jan 1;465(1):149-61. | ||||
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