Structure of PDB 5hzq Chain B Binding Site BS01

Receptor Information
>5hzq 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]
NFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFY
IKTSTTVRTTEINFKVGEEFEEQTVDGRPCKSLVKWESENKMVCEQKLLK
GEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE
Ligand information
Ligand IDYWZ
InChIInChI=1S/C23H27FO8S/c1-2-11-27-12-13-28-14-15-29-16-17-30-18-19-31-22-7-3-20(4-8-22)21-5-9-23(10-6-21)32-33(24,25)26/h1,3-10H,11-19H2
InChIKeyLGGNGJGQVBUVOE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(Oc1ccc(cc1)c2ccc(OCCOCCOCCOCCOCC#C)cc2)F
OpenEye OEToolkits 2.0.4C#CCOCCOCCOCCOCCOc1ccc(cc1)c2ccc(cc2)OS(=O)(=O)F
CACTVS 3.385F[S](=O)(=O)Oc1ccc(cc1)c2ccc(OCCOCCOCCOCCOCC#C)cc2
FormulaC23 H27 F O8 S
Name4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate
ChEMBL
DrugBank
ZINCZINC000584905721
PDB chain5hzq 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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PDB5hzq Arylfluorosulfates Inactivate Intracellular Lipid Binding Protein(s) through Chemoselective SuFEx Reaction with a Binding Site Tyr Residue.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F15 A32 P39 T54 V76 L121 R132 Y134
Binding residue
(residue number reindexed from 1)		F14 A31 P38 T53 V75 L120 R131 Y133
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001972 retinoic acid binding
GO:0005501 retinoid binding
GO:0005504 fatty acid binding
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0016918 retinal binding
GO:0019841 retinol binding
GO:0030332 cyclin binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0007165 signal transduction
GO:0008544 epidermis development
GO:0015908 fatty acid transport
GO:0035115 embryonic forelimb morphogenesis
GO:0042573 retinoic acid metabolic process
GO:0048672 positive regulation of collateral sprouting
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5hzq, PDBe:5hzq, PDBj:5hzq
PDBsum5hzq
PubMed27191344
UniProtP29373|RABP2_HUMAN Cellular retinoic acid-binding protein 2 (Gene Name=CRABP2)

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