Structure of PDB 5vnn Chain B Binding Site BS01

Receptor Information
>5vnn Chain B (length=731) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGLRVVNLLQERNMLPSTPLKPPVPNLHEDIQKLNCNPELFRCTLTSIPQ
TQALLNKAKLPLGLLLHPFKDLVQLPVVTSSTIVRCRSCRTYINPFVSFL
DQRRWKCNLCYRVNDVPEEFLEPHRRPEVQNATIEFMAPSEYMLRPPQPP
VYLFVFDVSHNAVETGYLNSVCQSLLDNLDLLPGNTRTKIGFITFDSTIH
FYGLQESLSQPQMLIVSDIEDVFIPMPENLLVNLNESKELVQDLLKTLPQ
MFTKTLETQSALGPALQAAFKLMSPTGGRMSVFQTQLPTLGVGALKPREE
PNHRSSAKMTPSTDFYKKLALDCSGQQVAVDLFLLSGQYSDLASLGCISR
YSAGSVYYYPSYHHQHNPVQVQKLQKELQRYLTRKIGFEAVMRIRCTKGL
SIHTFHGNFFVRSTDLLSLPNVNPDAGYAVQMSVEESLTDTQLVSFQSAL
LYTSSKGERRIRVHTLCLPVVSTLNDVFLGADVQAISGLLANMAVDRSMT
ASLSDARDALVNAVIDSLSAYRSSVPGLMVPFSLRLFPLFVLALLKQKSF
QTGTNARLDERIFAMCQVKNQPLVYLMLTTHPSLYRVDNLSDEGALNISD
RTIPQPPILQLSVEKLSRDGAFLMDAGSVLMLWVGKNCTQNFLSQVLGVQ
NYASIPQPMTDLPELDTPESARIIAFISWLREQRPFFPILYVIADESPMK
ANFLQNMIEDRTESALSYYEFLLHIQQQVNK
Ligand information
Ligand IDCLT
InChIInChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChIKeyOBKXEAXTFZPCHS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCCc1ccccc1
ACDLabs 10.04O=C(O)CCCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCC(=O)O
FormulaC10 H12 O2
Name4-PHENYL-BUTANOIC ACID;
GAMMA-PHENYL-BUTYRIC ACID
ChEMBLCHEMBL1469
DrugBankDB06819
ZINCZINC000000056568
PDB chain5vnn Chain B Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5vnn ER retention is imposed by COPII protein sorting and attenuated by 4-phenylbutyrate.
Resolution2.501 Å
Binding residue
(original residue number in PDB)		Y437 R750 A806 L808 I818
Binding residue
(residue number reindexed from 1)		Y92 R393 A449 L451 I461
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
Biological Process
GO:0006886 intracellular protein transport
GO:0006888 endoplasmic reticulum to Golgi vesicle-mediated transport
Cellular Component
GO:0030127 COPII vesicle coat

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5vnn, PDBe:5vnn, PDBj:5vnn
PDBsum5vnn
PubMed28594326
UniProtO95486|SC24A_HUMAN Protein transport protein Sec24A (Gene Name=SEC24A)

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