Structure of PDB 1zdu Chain A Binding Site BS03

Receptor Information
>1zdu Chain A (length=233) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIPHLILELLKCEPDEPQVQAKIMAYLQQEQKLSTFGLMCKMADQTLFS
IVEWARSSIFFRELKVDDQMKLLQNCWSELLILDHIYRQVVHGKEGSIFL
VTGQQVDYSIIASQAGATLNNLMSHAQELVAKLRSLQFDQREFVCLKFLV
LFSLDVKNLENFQLVEGVQEQVNAALLDYTMCNYPQQTEKFGQLLLRLPE
IRAISMQAEEYLYYKHLNGDVPYNNLLIEMLHA
Ligand information
Ligand IDP3A
InChIInChI=1S/C41H80O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(45)51-35-39(56-41(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-55-58(49,50)54-34-38(44)33-53-57(47,48)52-32-37(43)31-42/h14,16,37-39,42-44H,3-13,15,17-36H2,1-2H3,(H,47,48)(H,49,50)/p-2/b16-14-/t37-,38+,39+/m0/s1
InChIKeyLXWNXFZWWXODAH-XOLIOQKMSA-L
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC
OpenEye OEToolkits 1.7.5CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=C\CCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC
OpenEye OEToolkits 1.7.5CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)OC(=O)CCCCCCCC=CCCCCCC
ACDLabs 10.04O=C(OC(COP([O-])(=O)OCC(O)COP([O-])(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC\C=C/CCCCCC
FormulaC41 H78 O15 P2
NamePHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL
ChEMBL
DrugBank
ZINC
PDB chain1zdu Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1zdu The crystal structures of human steroidogenic factor-1 and liver receptor homologue-1
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F296 M299 I341 H344 I370 Q373 G375 A376 T377 L378 M382 Y470 L471 Y473 K474
Binding residue
(residue number reindexed from 1)		F37 M40 I82 H85 I111 Q114 G116 A117 T118 L119 M123 Y211 L212 Y214 K215
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:1zdu, PDBe:1zdu, PDBj:1zdu
PDBsum1zdu
PubMed15897460
UniProtO00482|NR5A2_HUMAN Nuclear receptor subfamily 5 group A member 2 (Gene Name=NR5A2)

[Back to BioLiP]