Structure of PDB 1yuc Chain B Binding Site BS02
Receptor Information
>1yuc Chain B (length=240) Species:
9606
(Homo sapiens) [
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SIPHLILELLKCEPDEPQVQAKIMAYLQQEQANRSKHEKLSTFGLMCKMA
DQTLFSIVEWARSSIFFRELKVDDQMKLLQNCWSELLILDHIYRQVVHGK
EGSIFLVTGQQVDYSIIASQAGATLNNLMSHAQELVAKLRSLQFDQREFV
CLKFLVLFSLDVKNLENFQLVEGVQEQVNAALLDYTMCNYPQQTEKFGQL
LLRLPEIRAISMQAEEYLYYKHLNGDVPYNNLLIEMLHAK
Ligand information
Ligand ID
EPH
InChI
InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h3,5,8,10-11,13-14,16,18,20,37H,4,6-7,9,12,15,17,19,21-36,40H2,1-2H3,(H,43,44)/b5-3+,10-8+,13-11?,16-14+,20-18+/t37-/m1/s1
InChIKey
MABRTXOVHMDVAT-AAEGOEIASA-N
SMILES
Software
SMILES
CACTVS 3.341
CCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC\C=C\CC\C=C\CC\C=C\C)CO[P@@](O)(=O)OCCN
ACDLabs 10.04
O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCC/C=C/CC/C=C/CC/C=C/C
OpenEye OEToolkits 1.5.0
CCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CCCC=CCCC=CC)COP(=O)(O)OCCN
CACTVS 3.341
CCCC=CCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P](O)(=O)OCCN
OpenEye OEToolkits 1.5.0
CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN
Formula
C39 H68 N O8 P
Name
L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE
ChEMBL
DrugBank
DB03047
ZINC
PDB chain
1yuc Chain B Residue 1002 [
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Receptor-Ligand Complex Structure
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PDB
1yuc
Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
F342 M345 L386 H390 L405 I416 G421 L424 M428 A513 Y516 K520
Binding residue
(residue number reindexed from 1)
F43 M46 L87 H91 L106 I117 G122 L125 M129 A214 Y217 K221
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003677
DNA binding
GO:0004879
nuclear receptor activity
View graph for
Molecular Function
External links
PDB
RCSB:1yuc
,
PDBe:1yuc
,
PDBj:1yuc
PDBsum
1yuc
PubMed
15723037
UniProt
O00482
|NR5A2_HUMAN Nuclear receptor subfamily 5 group A member 2 (Gene Name=NR5A2)
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