Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
NR5A2_HUMAN
Ligand General Information  Top
Ligand Name (1r,3ar,6ar)-5-Hexyl-4-Phenyl-3a-(1-Phenylethenyl)-1,2,3,3a,6,6a-Hexahydropentalen-1-Ol Ligand Info
Canonical SMILES CCCCCCC1=C(C2(CCC(C2C1)O)C(=C)C3=CC=CC=C3)C4=CC=CC=C4
InChI 1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1
InChIKey ZFXMYHPLTQTTFW-REUBFRLUSA-N
PubChem Compound ID 52936713
Drug Binding Sites of Target  Top
PDB ID: 5L11      Human Liver Receptor Homologue-1 (LRH-1) Bound to RJW100 and a Fragment of TIF-2
Method X-ray diffraction Resolution 1.85 Å Mutation No [1]
PDB Sequence
SIPHLILELL
309
KCEPDEPQVQ
319
AKIMAYLQQE
329
QANRSKHEKL
339
STFGLMCKMA
349

DQTLFSIVEW
359
ARSSIFFREL
369
KVDDQMKLLQ
379
NCWSELLILD
389
HIYRQVVHGK
399

EGSIFLVTGQ
409
QVDYSIIASQ
419
AGATLNNLMS
429
HAQELVAKLR
439
SLQFDQREFV
449

CLKFLVLFSL
459
DVKNLENFQL
469
VEGVQEQVNA
479
ALLDYTMCNY
489
PQQTEKFGQL
499

LLRLPEIRAI
509
SMQAEEYLYY
519
KHLNGDVNLL
532
IEML
Residue
Distance (Å)
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
Residue
Distance (Å)
LEU405
3.448
VAL406
4.776
ILE416
2.178
GLN419
3.065
ALA420
2.454
LEU424
2.270
LEU427
2.771
MET428
2.620
ALA431
2.719
ILE509
3.066
ALA513
3.311
LEU517
2.741
LEU532
3.077
PDB ID: 5UNJ      Structure of Human Liver Receptor Homolog 1 in complex with PGC1a and RJW100
Method X-ray diffraction Resolution 1.96 Å Mutation No [2]
PDB Sequence
SIPHLILELL
309
KCEPDEPQVQ
319
AKIMAYLQQL
339
STFGLMCKMA
349
DQTLFSIVEW
359

ARSSIFFREL
369
KVDDQMKLLQ
379
NCWSELLILD
389
HIYRQVVHGK
399
EGSIFLVTGQ
409

QVDYSIIASQ
419
AGATLNNLMS
429
HAQELVAKLR
439
SLQFDQREFV
449
CLKFLVLFSL
459

DVLENFQLVE
471
GVQEQVNAAL
481
LDYTMCNYPQ
491
QTEKFGQLLL
501
RLPEIRAISM
511

QAEEYLYYKH
521
LNGDVPYNNL
531
LIEMLHA
Residue
Distance (Å)
THR341
2.158
PHE342
2.412
MET345
2.092
CYS346
2.220
MET348
2.371
ALA349
2.700
THR352
3.800
LEU386
2.120
ILE387
2.330
ASP389
4.872
HIS390
2.188
ILE391
4.760
ARG393
4.317
ILE403
3.421
Residue
Distance (Å)
LEU405
3.435
VAL406
4.454
ILE416
2.335
ALA417
4.642
GLN419
2.817
ALA420
2.232
LEU424
2.653
LEU427
2.507
MET428
2.315
ALA431
2.616
ILE509
3.024
ALA513
3.017
LEU517
2.701
LEU532
3.244
References  Top
REF 1 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 2 Structure and Dynamics of the Liver Receptor Homolog 1-PGC1Alpha Complex. Mol Pharmacol. 2017 Jul;92(1):1-11.

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