Structure of PDB 7jvy Chain B Binding Site BS01

Receptor Information
>7jvy Chain B (length=136) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRDQNGTWEMESNENFEGYMKALDIDFATRKIAVRLTQTKVIDQDGDNFK
TKTTSTFRNYDVDFTVGVEFDEYTKSLDNRHVKALVTWEGDVLVCVQKGE
KENRGWKQWIEGDKLYLELTCGDQVCRQVFKKKLVP
Ligand information
Ligand IDVKV
InChIInChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyCUJUUWXZAQHCNC-DOFZRALJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO
CACTVS 3.385CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCCOC(CO)CO
ACDLabs 12.01C(CO)(OCCCC\C=C/C\C=C/C/C=C\C/C=C\CCCCC)CO
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO
FormulaC23 H40 O3
Name2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol;
2-Arachidonyl Glycerol Ether
ChEMBLCHEMBL146346
DrugBank
ZINCZINC000003981490
PDB chain7jvy Chain B Residue 201 [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]
PDB7jvy Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		F16 L23 A33 K40 T53 R58 V62 L77 W106 Q108
Binding residue
(residue number reindexed from 1)		F16 L23 A33 K40 T53 R58 V62 L77 W106 Q108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005501 retinoid binding
GO:0005504 fatty acid binding
GO:0008289 lipid binding
GO:0016918 retinal binding
GO:0019841 retinol binding
Biological Process
GO:0006776 vitamin A metabolic process
GO:0008544 epidermis development
GO:0015908 fatty acid transport
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7jvy, PDBe:7jvy, PDBj:7jvy
PDBsum7jvy
PubMed33631211
UniProtP50120|RET2_HUMAN Retinol-binding protein 2 (Gene Name=RBP2)

[Back to BioLiP]