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 Chaps Ligand Info
Canonical SMILES CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI 1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
InChIKey UMCMPZBLKLEWAF-BCTGSCMUSA-N
PubChem Compound ID 107670
Drug Binding Sites of Target  Top
PDB ID: 4PLD      Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human TIF-2
Method X-ray diffraction Resolution 1.75 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
KHLNGDVPYN
529
NLLIEMLHA
Residue
Distance (Å)
SER510
4.886
MET511
2.166
GLU514
2.336
GLU515
2.765
TYR518
2.384
Residue
Distance (Å)
TYR519
4.656
LEU522
3.160
LEU536
2.551
HIS537
4.988
PDB ID: 4PLE      Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2
Method X-ray diffraction Resolution 1.75 Å Mutation No [1]
PDB Sequence
AASIPHLILE
307
LLKCEPDEPQ
317
VQAKIMAYLQ
327
QEQANRSKHE
337
KLSTFGLMCK
347

MADQTLFSIV
357
EWARSSIFFR
367
ELKVDDQMKL
377
LQNCWSELLI
387
LDHIYRQVVH
397

GKEGSIFLVT
407
GQQVDYSIIA
417
SQAGATLNNL
427
MSHAQELVAK
437
LRSLQFDQRE
447

FVCLKFLVLF
457
SLDVKNLENF
467
QLVEGVQEQV
477
NAALLDYTMC
487
NYPQQTEKFG
497

QLLLRLPEIR
507
AISMQAEEYL
517
YYKHLNGDVP
527
YNNLLIEMLH
537
A
Residue
Distance (Å)
MET323
3.569
LEU326
3.696
GLN327
3.816
GLN330
3.689
THR341
3.632
LEU344
3.656
MET345
3.913
LEU405
3.668
THR407
3.607
Residue
Distance (Å)
GLN409
3.330
VAL411
3.887
THR423
3.786
GLU514
3.995
GLU515
2.788
TYR516
4.849
TYR518
3.509
TYR519
3.263
LEU536
3.074
References  Top
REF 1 Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity. J Biol Chem. 2016 Jan 15;291(3):1411-26.

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