Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T13902 | Target Info | |||
| Target Name | Liver receptor homolog-1 (NR5A2) | ||||
| Synonyms | LRH1; CYP7A promoterbinding factor; B1binding factor; Alpha1fetoprotein transcription factor | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | NR5A2 | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1, NR5A2) in complex with a co-regulator DAX-1 (NR0B1) peptide at 1.86 A resolution | PDB:4RWV | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [1] |
| PDB Sequence |
SPASIPHLIL
306 ELLKEPDEPQ317 VQAKIMAYLQ327 QEQANRSKHE337 KLSTFGLMCK347 MADQTLFSIV 357 EWARSSIFFR367 ELKVDDQMKL377 LQNCWSELLI387 LDHIYRQVVH397 GKEGSIFLVT 407 GQQVDYSIIA417 SQAGATLNNL427 MSHAQELVAK437 LRSLQFDQRE447 FVCLKFLVLF 457 SLDVKNLENF467 QLVEGVQEQV477 NAALLDYTMC487 NYPQQTEKFG497 QLLLRLPEIR 507 AISMQAEEYL517 YYKHLNGDVP527 YNNLLIEMLH537 AK
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| Ligand Name: (3as,6ar)-5-[(4e)-Oct-4-En-4-Yl]-N,4-Diphenyl-2,3,6,6a-Tetrahydropentalen-3a(1h)-Amine | Ligand Info | |||||
| Structure Description | Human LRH1 LBD bound to GR470 | PDB:3PLZ | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [2] |
| PDB Sequence |
SIPHLILELL
309 KCEPDEPQVQ319 AKIMAYLQQE329 KLSTFGLMCK347 MADQTLFSIV357 EWARSSIFFR 367 ELKVDDQMKL377 LQNCWSELLI387 LDHIYRQVVH397 GKEGSIFLVT407 GQQVDYSIIA 417 SQAGATLNNL427 MSHAQELVAK437 LRSLQFDQRE447 FVCLKFLVLF457 SLDVKNLENF 467 QLVEGVQEQV477 NAALLDYTMC487 NYPQQTEKFG497 QLLLRLPEIR507 AISMQAEEYL 517 YYKHLNGDVP527 YNNLLIEMLH537 A
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PHE342
3.887
MET345
3.472
CYS346
4.027
MET348
4.203
ALA349
4.074
TRP382
3.799
SER383
3.716
LEU386
4.138
ILE387
3.773
HIS390
3.217
ARG393
4.391
ILE403
3.268
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| Ligand Name: (2S)-3-{[{[(2S)-2,3-Dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6E)-hexadec-6-enoyloxy]propyl (8E)-octadec-8-enoate | Ligand Info | |||||
| Structure Description | crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol | PDB:1YOK | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
SIPHLILELL
309 KCEPDEPQVQ319 AKIMAYLQQE329 QANRSKLSTF342 GLMCKMADQT352 LFSIVEWARS 362 SIFFRELKVD372 DQMKLLQNCW382 SELLILDHIY392 RQVVHGKEGS402 IFLVTGQQVD 412 YSIIASQAGA422 TLNNLMSHAQ432 ELVAKLRSLQ442 FDQREFVCLK452 FLVLFSLDVK 462 NLENFQLVEG472 VQEQVNAALL482 DYTMCNYPQQ492 TEKFGQLLLR502 LPEIRAISMQ 512 AEEYLYYKHL522 NGDVPYNNLL532 IEMLHA
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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 .P6L or .P6L2 or .P6L3 or :3P6L;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:349 or .A:382 or .A:383 or .A:386 or .A:387 or .A:390 or .A:403 or .A:405 or .A:415 or .A:416 or .A:417 or .A:419 or .A:420 or .A:421 or .A:422 or .A:423 or .A:424 or .A:427 or .A:428 or .A:431 or .A:513 or .A:514 or .A:516 or .A:517 or .A:519 or .A:520 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR341
3.453
PHE342
2.923
MET345
3.183
CYS346
4.538
ALA349
4.074
TRP382
4.335
SER383
4.251
LEU386
4.117
ILE387
3.714
HIS390
3.467
ILE403
4.107
LEU405
4.181
ILE415
3.923
ILE416
3.026
ALA417
4.986
GLN419
3.062
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate | Ligand Info | |||||
| Structure Description | Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1, NR5A2) in complex with a co-regulator DAX-1 (NR0B1) peptide at 1.86 A resolution | PDB:4RWV | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [1] |
| PDB Sequence |
SPASIPHLIL
306 ELLKEPDEPQ317 VQAKIMAYLQ327 QEQANRSKHE337 KLSTFGLMCK347 MADQTLFSIV 357 EWARSSIFFR367 ELKVDDQMKL377 LQNCWSELLI387 LDHIYRQVVH397 GKEGSIFLVT 407 GQQVDYSIIA417 SQAGATLNNL427 MSHAQELVAK437 LRSLQFDQRE447 FVCLKFLVLF 457 SLDVKNLENF467 QLVEGVQEQV477 NAALLDYTMC487 NYPQQTEKFG497 QLLLRLPEIR 507 AISMQAEEYL517 YYKHLNGDVP527 YNNLLIEMLH537 AK
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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 .PIZ or .PIZ2 or .PIZ3 or :3PIZ;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:382 or .A:383 or .A:386 or .A:387 or .A:390 or .A:403 or .A:405 or .A:411 or .A:415 or .A:416 or .A:419 or .A:420 or .A:421 or .A:422 or .A:423 or .A:424 or .A:428 or .A:510 or .A:513 or .A:514 or .A:516 or .A:517 or .A:520 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR341
3.844
PHE342
3.584
MET345
3.752
CYS346
3.755
MET348
4.225
ALA349
3.834
TRP382
4.095
SER383
3.797
LEU386
3.873
ILE387
4.395
HIS390
3.786
ILE403
4.841
LEU405
4.058
VAL411
3.904
ILE415
4.135
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| Ligand Name: LRH-1 agonist 10CA | Ligand Info | |||||
| Structure Description | Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2 | PDB:7JYD | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
ASIPHLILEL
308 LKCEPDEPQV318 QAKIMAYLQQ328 EQANRSKHEK338 LSTFGLMCKM348 ADQTLFSIVE 358 WARSSIFFRE368 LKVDDQMKLL378 QNCWSELLIL388 DHIYRQVVHG398 KEGSIFLVTG 408 QQVDYSIIAS418 QAGATLNNLM428 SHAQELVAKL438 RSLQFDQREF448 VCLKFLVLFS 458 LDVKNLENFQ468 LVEGVQEQVN478 AALLDYTMCN488 YPQQTEKFGQ498 LLLRLPEIRA 508 ISMQAEEYLY518 YKHLNGDVPY528 NNLLIEMLHA538
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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 .VQA or .VQA2 or .VQA3 or :3VQA;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:352 or .A:386 or .A:387 or .A:390 or .A:403 or .A:405 or .A:406 or .A:416 or .A:419 or .A:420 or .A:421 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:513 or .A:516 or .A:517 or .A:520 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR341
3.680
PHE342
2.777
MET345
2.978
CYS346
3.061
MET348
3.963
ALA349
2.927
THR352
4.131
LEU386
3.631
ILE387
3.425
HIS390
3.022
ILE403
4.968
LEU405
4.265
VAL406
4.912
ILE416
3.164
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| Ligand Name: 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate | Ligand Info | |||||
| Structure Description | Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 | PDB:7JYE | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [5] |
| PDB Sequence |
ASIPHLILEL
308 LKCEPDEPQV318 QAKIMAYLQQ328 EQANRSKHEK338 LSTFGLMCKM348 ADQTLFSIVE 358 WARSSIFFRE368 LKVDDQMKLL378 QNCWSELLIL388 DHIYRQVVHG398 KEGSIFLVTG 408 QQVDYSIIAS418 QAGATLNNLM428 SHAQELVAKL438 RSLQFDQREF448 VCLKFLVLFS 458 LDVKNLENFQ468 LVEGVQEQVN478 AALLDYTMCN488 YPQQTEKFGQ498 LLLRLPEIRA 508 ISMQAEEYLY518 YKHLNGDVPY528 NNLLIEMLHA538 KR
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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 .VQY or .VQY2 or .VQY3 or :3VQY;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:352 or .A:386 or .A:387 or .A:390 or .A:391 or .A:403 or .A:416 or .A:417 or .A:419 or .A:420 or .A:421 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:513 or .A:516 or .A:517 or .A:520 or .A:525 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR341
3.461
PHE342
2.513
MET345
3.000
CYS346
2.995
MET348
4.422
ALA349
3.324
THR352
4.176
LEU386
2.952
ILE387
2.967
HIS390
2.695
ILE391
4.980
ILE403
4.723
ILE416
2.691
ALA417
4.890
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| Ligand Name: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name) | Ligand Info | |||||
| Structure Description | Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator | PDB:7TT8 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [6] |
| PDB Sequence |
ASIPHLILEL
308 LKCEPDEPQV318 QAKIMAYLQQ328 EQANKLSTFG343 LMCKMADQTL353 FSIVEWARSS 363 IFFRELKVDD373 QMKLLQNCWS383 ELLILDHIYR393 QVVHGKEGSI403 FLVTGQQVDY 413 SIIASQAGAT423 LNNLMSHAQE433 LVAKLRSLQF443 DQREFVCLKF453 LVLFSLDVKN 463 LENFQLVEGV473 QEQVNAALLD483 YTMCNYPQQT493 EKFGQLLLRL503 PEIRAISMQA 513 EEYLYYKHLN523 GDVPYNNLLI533 EMLHA
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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 .IUW or .IUW2 or .IUW3 or :3IUW;style chemicals stick;color identity;select .A:341 or .A:342 or .A:344 or .A:345 or .A:346 or .A:348 or .A:349 or .A:352 or .A:386 or .A:387 or .A:389 or .A:390 or .A:391 or .A:393 or .A:403 or .A:404 or .A:405 or .A:406 or .A:407 or .A:416 or .A:417 or .A:419 or .A:420 or .A:421 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:513 or .A:516 or .A:517 or .A:520 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR341
2.576
PHE342
2.473
LEU344
4.462
MET345
2.140
CYS346
2.325
MET348
2.339
ALA349
2.636
THR352
2.915
LEU386
3.031
ILE387
2.709
ASP389
4.930
HIS390
2.330
ILE391
4.908
ARG393
3.280
ILE403
3.390
PHE404
4.918
LEU405
2.750
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| Ligand Name: SS-Rjw100 | Ligand Info | |||||
| Structure Description | LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator | PDB:6VC2 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [7] |
| PDB Sequence |
SIPHLILELL
309 KCEPDEPQVQ319 AKIMAYLQQE329 QANRSKHEKL339 STFGLMCKMA349 DQTLFSIVEW 359 ARSSIFFREL369 KVDDQMKLLQ379 NCWSELLILD389 HIYRQVVHGK399 EGSIFLVTGQ 409 QVDYSIIASQ419 AGATLNNLMS429 HAQELVAKLR439 SLQFDQREFV449 CLKFLVLFSL 459 DVKNLENFQL469 VEGVQEQVNA479 ALLDYTMCNY489 PQQTEKFGQL499 LLRLPEIRAI 509 SMQAEEYLYY519 KHLNGDVNLL532 IEMLHA
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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 .QU7 or .QU72 or .QU73 or :3QU7;style chemicals stick;color identity;select .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:382 or .A:383 or .A:386 or .A:387 or .A:390 or .A:403 or .A:405 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:510 or .A:513 or .A:514 or .A:517 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE342
3.507
MET345
2.845
CYS346
3.812
MET348
3.734
ALA349
3.877
TRP382
3.902
SER383
3.645
LEU386
3.654
ILE387
3.597
HIS390
3.575
ILE403
4.926
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| Ligand Name: Chaps | Ligand Info | |||||
| Structure Description | Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human TIF-2 | PDB:4PLD | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [8] |
| PDB Sequence |
SIPHLILELL
309 KCEPDEPQVQ319 AKIMAYLQQE329 QANRSKHEKL339 STFGLMCKMA349 DQTLFSIVEW 359 ARSSIFFREL369 KVDDQMKLLQ379 NCWSELLILD389 HIYRQVVHGK399 EGSIFLVTGQ 409 QVDYSIIASQ419 AGATLNNLMS429 HAQELVAKLR439 SLQFDQREFV449 CLKFLVLFSL 459 DVKNLENFQL469 VEGVQEQVNA479 ALLDYTMCNY489 PQQTEKFGQL499 LLRLPEIRAI 509 SMQAEEYLYY519 KHLNGDVPYN529 NLLIEMLHA
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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 .CPS or .CPS2 or .CPS3 or :3CPS;style chemicals stick;color identity;select .A:510 or .A:511 or .A:514 or .A:515 or .A:518 or .A:519 or .A:522 or .A:536 or .A:537; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9E,12E)-hexadeca-9,12-dienoyl]oxypropyl] (8E,12Z,16E)-octadeca-8,12,16-trienoate | Ligand Info | |||||
| Structure Description | Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 | PDB:4PLE | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [8] |
| PDB Sequence |
AASIPHLILE
307 LLKCEPDEPQ317 VQAKIMAYLQ327 QEQANRSKHE337 KLSTFGLMCK347 MADQTLFSIV 357 EWARSSIFFR367 ELKVDDQMKL377 LQNCWSELLI387 LDHIYRQVVH397 GKEGSIFLVT 407 GQQVDYSIIA417 SQAGATLNNL427 MSHAQELVAK437 LRSLQFDQRE447 FVCLKFLVLF 457 SLDVKNLENF467 QLVEGVQEQV477 NAALLDYTMC487 NYPQQTEKFG497 QLLLRLPEIR 507 AISMQAEEYL517 YYKHLNGDVP527 YNNLLIEMLH537 A
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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 .EPH or .EPH2 or .EPH3 or :3EPH;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:382 or .A:383 or .A:386 or .A:387 or .A:390 or .A:405 or .A:411 or .A:415 or .A:416 or .A:419 or .A:420 or .A:421 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:510 or .A:513 or .A:514 or .A:516 or .A:517 or .A:520 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR341
3.405
PHE342
3.279
MET345
3.606
CYS346
3.930
MET348
4.524
ALA349
3.707
TRP382
4.113
SER383
3.746
LEU386
3.636
ILE387
3.806
HIS390
3.317
LEU405
4.167
VAL411
4.238
ILE415
3.610
ILE416
3.164
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1r,3ar,6ar)-5-Hexyl-4-Phenyl-3a-(1-Phenylethenyl)-1,2,3,3a,6,6a-Hexahydropentalen-1-Ol | Ligand Info | |||||
| Structure Description | Human Liver Receptor Homologue-1 (LRH-1) Bound to RJW100 and a Fragment of TIF-2 | PDB:5L11 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [9] |
| PDB Sequence |
SIPHLILELL
309 KCEPDEPQVQ319 AKIMAYLQQE329 QANRSKHEKL339 STFGLMCKMA349 DQTLFSIVEW 359 ARSSIFFREL369 KVDDQMKLLQ379 NCWSELLILD389 HIYRQVVHGK399 EGSIFLVTGQ 409 QVDYSIIASQ419 AGATLNNLMS429 HAQELVAKLR439 SLQFDQREFV449 CLKFLVLFSL 459 DVKNLENFQL469 VEGVQEQVNA479 ALLDYTMCNY489 PQQTEKFGQL499 LLRLPEIRAI 509 SMQAEEYLYY519 KHLNGDVNLL532 IEML
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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 .RJW or .RJW2 or .RJW3 or :3RJW;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:352 or .A:386 or .A:387 or .A:390 or .A:391 or .A:393 or .A:403 or .A:405 or .A:406 or .A:416 or .A:419 or .A:420 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:513 or .A:517 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR341
2.428
PHE342
2.744
MET345
2.257
CYS346
2.218
MET348
2.278
ALA349
2.347
THR352
4.602
LEU386
2.209
ILE387
2.410
HIS390
2.348
ILE391
4.680
ARG393
4.380
ILE403
3.117
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (8beta,11alpha,12alpha)-8-(1-Phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate | Ligand Info | |||||
| Structure Description | Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator | PDB:6OQX | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [10] |
| PDB Sequence |
SIPHLILELL
309 KCEPDEPQVQ319 AKIMAYLQQE329 QANRSKHEKL339 STFGLMCKMA349 DQTLFSIVEW 359 ARSSIFFREL369 KVDDQMKLLQ379 NCWSELLILD389 HIYRQVVHGK399 EGSIFLVTGQ 409 QVDYSIIASQ419 AGATLNNLMS429 HAQELVAKLR439 SLQFDQREFV449 CLKFLVLFSL 459 DVKNLENFQL469 VEGVQEQVNA479 ALLDYTMCNY489 PQQTEKFGQL499 LLRLPEIRAI 509 SMQAEEYLYY519 KHLNGDVPYN529 NLLIEMLHA
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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 .N1V or .N1V2 or .N1V3 or :3N1V;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:352 or .A:386 or .A:387 or .A:389 or .A:390 or .A:391 or .A:393 or .A:403 or .A:405 or .A:406 or .A:407 or .A:416 or .A:419 or .A:420 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:513 or .A:517 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR341
2.223
PHE342
3.022
MET345
2.337
CYS346
2.384
MET348
2.135
ALA349
2.592
THR352
3.152
LEU386
2.700
ILE387
2.245
ASP389
4.877
HIS390
2.183
ILE391
4.983
ARG393
3.510
ILE403
3.461
|
|||||
| Ligand Name: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide | Ligand Info | |||||
| Structure Description | Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator | PDB:6OR1 | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [10] |
| PDB Sequence |
SIPHLILELL
309 KCEPDEPQVQ319 AKIMAYLQQE329 QANRSKHLST341 FGLMCKMADQ351 TLFSIVEWAR 361 SSIFFRELKV371 DDQMKLLQNC381 WSELLILDHI391 YRQVVHGKEG401 SIFLVTGQQV 411 DYSIIASQAG421 ATLNNLMSHA431 QELVAKLRSL441 QFDQREFVCL451 KFLVLFSLDV 461 KNLENFQLVE471 GVQEQVNAAL481 LDYTMCNYPQ491 QTEKFGQLLL501 RLPEIRAISM 511 QAEEYLYYKH521 LNGDVNNLLI533 EMLHA
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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 .N27 or .N272 or .N273 or :3N27;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:352 or .A:386 or .A:387 or .A:389 or .A:390 or .A:391 or .A:393 or .A:403 or .A:405 or .A:406 or .A:407 or .A:416 or .A:419 or .A:420 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:513 or .A:517 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR341
3.132
PHE342
2.476
MET345
2.170
CYS346
2.300
MET348
2.096
ALA349
2.814
THR352
4.546
LEU386
2.530
ILE387
2.579
ASP389
4.941
HIS390
2.218
ILE391
4.965
ARG393
2.851
ILE403
3.332
|
|||||
| Ligand Name: LRH-1 modulator-1 | Ligand Info | |||||
| Structure Description | Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator | PDB:6OQY | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [10] |
| PDB Sequence |
SIPHLILELL
309 KCEPDEPQVQ319 AKIMAYLQQE329 QANRSKHEST341 FGLMCKMADQ351 TLFSIVEWAR 361 SSIFFRELKV371 DDQMKLLQNC381 WSELLILDHI391 YRQVVHGKEG401 SIFLVTGQQV 411 DYSIIASQAG421 ATLNNLMSHA431 QELVAKLRSL441 QFDQREFVCL451 KFLVLFSLDV 461 KNLENFQLVE471 GVQEQVNAAL481 LDYTMCNYPQ491 QTEKFGQLLL501 RLPEIRAISM 511 QAEEYLYYKH521 LNGDVPYNNL531 LIEMLHA
|
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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 .N2J or .N2J2 or .N2J3 or :3N2J;style chemicals stick;color identity;select .A:341 or .A:342 or .A:344 or .A:345 or .A:346 or .A:348 or .A:349 or .A:352 or .A:386 or .A:387 or .A:389 or .A:390 or .A:391 or .A:393 or .A:403 or .A:404 or .A:405 or .A:406 or .A:407 or .A:416 or .A:419 or .A:420 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:513 or .A:517 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR341
2.896
PHE342
2.759
LEU344
4.706
MET345
2.114
CYS346
2.045
MET348
2.419
ALA349
2.548
THR352
3.772
LEU386
2.766
ILE387
2.600
ASP389
4.973
HIS390
2.160
ILE391
4.743
ARG393
3.648
ILE403
2.835
|
|||||
| Ligand Name: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide | Ligand Info | |||||
| Structure Description | Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 | PDB:6VIF | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [11] |
| PDB Sequence |
IPHLILELLK
310 CEPDEPQVQA320 KIMAYLQQEQ330 ANRSKHEKLS340 TFGLMCKMAD350 QTLFSIVEWA 360 RSSIFFRELK370 VDDQMKLLQN380 CWSELLILDH390 IYRQVVHGKE400 GSIFLVTGQQ 410 VDYSIIASQA420 GATLNNLMSH430 AQELVAKLRS440 LQFDQREFVC450 LKFLVLFSLD 460 VKNLENFQLV470 EGVQEQVNAA480 LLDYTMCNYP490 QQTEKFGQLL500 LRLPEIRAIS 510 MQAEEYLYYK520 HLNGDVNLLI533 EMLHA
|
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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 .QY4 or .QY42 or .QY43 or :3QY4;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:352 or .A:382 or .A:383 or .A:386 or .A:387 or .A:390 or .A:393 or .A:404 or .A:405 or .A:406 or .A:416 or .A:419 or .A:420 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:510 or .A:513 or .A:514 or .A:517 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR341
4.468
PHE342
3.992
MET345
3.361
CYS346
4.677
MET348
3.244
ALA349
3.587
THR352
3.722
TRP382
3.605
SER383
3.626
LEU386
4.033
ILE387
3.727
HIS390
3.489
ARG393
3.764
PHE404
4.810
LEU405
3.483
|
|||||
| Ligand Name: Phosphatidylglycerol-phosphoglycerol | Ligand Info | |||||
| Structure Description | The Crystal Structure of Human Liver Receptor Homologue-1 | PDB:1ZDU | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [12] |
| PDB Sequence |
ASIPHLILEL
262 LKCEPDEPQV272 QAKIMAYLQQ282 EQKLSTFGLM299 CKMADQTLFS309 IVEWARSSIF 319 FRELKVDDQM329 KLLQNCWSEL339 LILDHIYRQV349 VHGKEGSIFL359 VTGQQVDYSI 369 IASQAGATLN379 NLMSHAQELV389 AKLRSLQFDQ399 REFVCLKFLV409 LFSLDVKNLE 419 NFQLVEGVQE429 QVNAALLDYT439 MCNYPQQTEK449 FGQLLLRLPE459 IRAISMQAEE 469 YLYYKHLNGD479 VPYNNLLIEM489 LHA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P3A or .P3A2 or .P3A3 or :3P3A;style chemicals stick;color identity;select .A:295 or .A:296 or .A:299 or .A:300 or .A:303 or .A:337 or .A:340 or .A:341 or .A:344 or .A:357 or .A:359 or .A:365 or .A:369 or .A:370 or .A:373 or .A:374 or .A:375 or .A:376 or .A:377 or .A:378 or .A:379 or .A:381 or .A:382 or .A:385 or .A:463 or .A:467 or .A:470 or .A:471 or .A:473 or .A:474 or .A:486; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR295
3.688
PHE296
3.453
MET299
3.507
CYS300
4.210
ALA303
3.864
SER337
4.795
LEU340
3.671
ILE341
3.718
HIS344
3.574
ILE357
4.344
LEU359
3.970
VAL365
4.276
ILE369
4.246
ILE370
3.471
GLN373
3.637
ALA374
4.033
|
|||||
| Ligand Name: (1s,3ar,6ar)-5-Hexyl-4-Phenyl-3a-(1-Phenylethenyl)-1,2,3,3a,6,6a-Hexahydropentalen-1-Ol | Ligand Info | |||||
| Structure Description | Human Liver Receptor Homologue-1 (LRH-1) Bound to a RJW100 stereoisomer and a Fragment of TIF-2 | PDB:5SYZ | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [9] |
| PDB Sequence |
SIPHLILELL
309 KCEPDEPQVQ319 AKIMAYLQQE329 QANRSKHEKL339 STFGLMCKMA349 DQTLFSIVEW 359 ARSSIFFREL369 KVDDQMKLLQ379 NCWSELLILD389 HIYRQVVHGK399 EGSIFLVTGQ 409 QVDYSIIASQ419 AGATLNNLMS429 HAQELVAKLR439 SLQFDQREFV449 CLKFLVLFSL 459 DVKNLENFQL469 VEGVQEQVNA479 ALLDYTMCNY489 PQQTEKFGQL499 LLRLPEIRAI 509 SMQAEEYLYY519 KHLNGDVPNL531 LIEMLHA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .71W or .71W2 or .71W3 or :371W;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:349 or .A:352 or .A:386 or .A:387 or .A:389 or .A:390 or .A:391 or .A:393 or .A:403 or .A:405 or .A:406 or .A:416 or .A:419 or .A:420 or .A:424 or .A:427 or .A:428 or .A:431 or .A:509 or .A:513 or .A:517 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR341
2.693
PHE342
2.735
MET345
2.186
CYS346
2.474
MET348
3.202
ALA349
2.619
THR352
4.107
LEU386
2.731
ILE387
2.680
ASP389
4.930
HIS390
2.472
ILE391
4.773
ARG393
4.026
ILE403
3.383
|
|||||
| Ligand Name: Diundecyl Phosphatidyl Choline | Ligand Info | |||||
| Structure Description | Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 | PDB:4DOS | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [13] |
| PDB Sequence |
AAASIPHLIL
306 ELLKCEPDEP316 QVQAKIMAYL326 QQEQANRSKH336 EKLSTFGLMC346 KMADQTLFSI 356 VEWARSSIFF366 RELKVDDQMK376 LLQNCWSELL386 ILDHIYRQVV396 HGKEGSIFLV 406 TGQQVDYSII416 ASQAGATLNN426 LMSHAQELVA436 KLRSLQFDQR446 EFVCLKFLVL 456 FSLDVKNLEN466 FQLVEGVQEQ476 VNAALLDYTM486 CNYPQQTEKF496 GQLLLRLPEI 506 RAISMQAEEY516 LYYKHLNGDV526 PYNNLLIEML536 HA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLC or .PLC2 or .PLC3 or :3PLC;style chemicals stick;color identity;select .A:341 or .A:342 or .A:345 or .A:346 or .A:349 or .A:382 or .A:383 or .A:386 or .A:387 or .A:390 or .A:405 or .A:411 or .A:415 or .A:416 or .A:419 or .A:420 or .A:421 or .A:424 or .A:427 or .A:428 or .A:510 or .A:513 or .A:514 or .A:516 or .A:517 or .A:520 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR341
3.759
PHE342
3.333
MET345
3.380
CYS346
4.465
ALA349
4.043
TRP382
3.440
SER383
3.521
LEU386
4.155
ILE387
4.851
HIS390
3.456
LEU405
4.230
VAL411
3.901
ILE415
4.058
ILE416
3.421
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of a Homo sapiens hepatocytic transcription factor hB1F-2 (B1F2) in complex with nuclear receptor subfamily 0 group B member 1 (NR0B1, residues 140-154) from human at 1.86 A resolution | ||||
| REF 2 | Small molecule agonists of the orphan nuclear receptors steroidogenic factor-1 (SF-1, NR5A1) and liver receptor homologue-1 (LRH-1, NR5A2). J Med Chem. 2011 Apr 14;54(7):2266-81. | ||||
| REF 3 | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1. Cell. 2005 Feb 11;120(3):343-55. | ||||
| REF 4 | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis | ||||
| REF 5 | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis | ||||
| REF 6 | Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket. J Med Chem. 2022 May 12;65(9):6888-6902. | ||||
| REF 7 | Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist. Sci Rep. 2020 Dec 17;10(1):22279. | ||||
| REF 8 | Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity. J Biol Chem. 2016 Jan 15;291(3):1411-26. | ||||
| REF 9 | Crystal Structures of the Nuclear Receptor, Liver Receptor Homolog 1, Bound to Synthetic Agonists. J Biol Chem. 2016 Dec 2;291(49):25281-25291. | ||||
| REF 10 | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design. J Med Chem. 2019 Dec 26;62(24):11022-11034. | ||||
| REF 11 | Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition. Bioorg Med Chem Lett. 2020 Aug 15;30(16):127293. | ||||
| REF 12 | The crystal structures of human steroidogenic factor-1 and liver receptor homologue-1. Proc Natl Acad Sci U S A. 2005 May 24;102(21):7505-10. | ||||
| REF 13 | Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation. Nat Struct Mol Biol. 2012 Apr 15;19(5):532-S2. | ||||
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