Structure of PDB 7dei Chain A Binding Site BS01

Receptor Information
>7dei Chain A (length=376) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRRTSLPAPSPSSSNISLWNILRNNIGKDLSKVAMPVELNEPLNTLQRLC
EELEYSELLDKAAQIPSPLERMVYVAAFAISAYASSYYRAGSKPFNPVLG
ETYECIREDKGFQFFSEQVSHHPPISACHAESRNFVFWQDVRWKNKFWGK
SMEIVPIGTTHVTLPVFGDHFEWNKVTSCIHNILSGQRWIEHYGEIVIKN
LHDDSCYCKVNFIKAKYWSTNAHEIEGTVFDRSGKAVHRLFGKWHESIYC
GGGSSSACVWRANPMPKGYEQYYSFTQFALELNEMDPSSKSLLPPTDTRF
RPDQRFLEEGNLEEAEIQKQRIEQLQRERRRVLEENHVEHQPRFFRKSDG
SWVSNGTYLELRKDLGFSKLDHPVLW
Ligand information
Ligand IDPIF
InChIInChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)24(21(29)23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/t17-,20-,21+,22-,23-,24+,25+/m1/s1
InChIKeySNIQYSSXZJPPEL-LKTRINTESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
CACTVS 3.370CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC
ACDLabs 12.01O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCC
OpenEye OEToolkits 1.7.0CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
CACTVS 3.370CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCCCCC
FormulaC25 H48 O16 P2
Name(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate;
L-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4-PHOSPHATE;
D(+)SN1,2DI-O-OCTANOYLGLYCERYL
ChEMBL
DrugBank
ZINCZINC000150339754
PDB chain7dei Chain A Residue 901 [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]
PDB7dei Structure of human ORP3 ORD reveals conservation of a key function and ligand specificity in OSBP-related proteins.
Resolution2.6 Å
Binding residue
(original residue number in PDB)
S541 V543 A544 M545 G601 K603 P604 N606 H631 H632 W653 M662 K829 E833 R837
Binding residue
(residue number reindexed from 1)
S31 V33 A34 M35 G91 K93 P94 N96 H121 H122 W143 M152 K319 E323 R327
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:7dei, PDBe:7dei, PDBj:7dei
PDBsum7dei
PubMed33857182
UniProtQ9H4L5|OSBL3_HUMAN Oxysterol-binding protein-related protein 3 (Gene Name=OSBPL3)

[Back to BioLiP]