Structure of PDB 6bti Chain B Binding Site BS01

Receptor Information
>6bti Chain B (length=137) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTRDQNGTWEMESNENFEGYMKALDIDFATRKIAVRLTQTKVIDQDGDNF
KTKTTSTFRNYDVDFTVGVEFDEYTKSLDNRHVKALVTWEGDVLVCVQKG
EKENRGWKQWIEGDKLYLELTCGDQVCRQVFKKKLVP
Ligand information
Ligand IDE7Y
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
InChIKeyLGEQQWMQCRIYKG-DOFZRALJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
CACTVS 3.385CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCC(=O)NCCO
ACDLabs 12.01C(=O)(NCCO)CCC[C@H]=CC\C=C/C[C@H]=CC[C@H]=CCCCCC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
FormulaC22 H37 N O2
Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide;
N-arachidonoylethanolamine
ChEMBLCHEMBL15848
DrugBank
ZINCZINC000003809850
PDB chain6bti Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bti Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		F16 A33 Q38 K40 T53 R58 Y60 L77 W106 Q108
Binding residue
(residue number reindexed from 1)		F17 A34 Q39 K41 T54 R59 Y61 L78 W107 Q109
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6bti, PDBe:6bti, PDBj:6bti
PDBsum6bti
PubMed32195347
UniProtP50120|RET2_HUMAN Retinol-binding protein 2 (Gene Name=RBP2)

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