Structure of PDB 1yow Chain A Binding Site BS02

Receptor Information
>1yow Chain A (length=230) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNVPELMLQLLQLEPDEDQVRARILGCLQEPAAFGLLCRMADQTFISIVD
WARRCMVFKELEVADQMTLLQNCWSELLVFDHIYRQVQHGKEGSILLVTG
QEVELTTVATQAGSLLHSLVLRAQELVLQLLALQLDRQEFVCLKFIILFS
LDLKFLNNHILVKDAQEKANAALLDYTLCHYPHCGDKFQQLLLCLVEVRA
LSMQAKEYLYHKHLGNEMPRNNLLIEMLQA
Ligand information
Ligand IDP0E
InChIInChI=1S/C39H73O9P/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/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m0/s1
InChIKeyPGYPLYNHOCZJEB-JSTCSLLMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCO)OC(=O)CCCCCCCC=CCCCCCC
ACDLabs 10.04O=C(OC(COP(=O)(OCCO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCC
CACTVS 3.341CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC
CACTVS 3.341CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCO)OC(=O)CCCCCCCC=CCCCCCC
FormulaC39 H73 O9 P
NamePHOSPHATIDYL ETHANOL;
(2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE
ChEMBL
DrugBankDB04752
ZINCZINC000098209280
PDB chain1yow Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1yow Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Resolution3.0 Å
Binding residue
(original residue number in PDB)		F262 S303 L306 V307 H310 I323 V336 G341 L344 S430 A433 Y436 K440
Binding residue
(residue number reindexed from 1)		F34 S75 L78 V79 H82 I95 V108 G113 L116 S202 A205 Y208 K212
Annotation score1
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:1yow, PDBe:1yow, PDBj:1yow
PDBsum1yow
PubMed15707893
UniProtQ13285|STF1_HUMAN Steroidogenic factor 1 (Gene Name=NR5A1)

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