Structure of PDB 6gmx Chain B Binding Site BS01

Receptor Information
>6gmx Chain B (length=87) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYVKLISSDGHEFIVKREHALTSGTIKAMLSTNEVNFREIPSHVLSKVCM
YFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Ligand information
Ligand IDF7B
InChIInChI=1S/C9H7ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKeyOKHUUKHZUNKSQA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1Cl)C(=O)CCS2
CACTVS 3.385Clc1ccc2SCCC(=O)c2c1
FormulaC9 H7 Cl O S
Name6-chloranyl-2,3-dihydrothiochromen-4-one
ChEMBLCHEMBL4241500
DrugBank
ZINCZINC000000106039
PDB chain6gmx 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

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PDB6gmx Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
Resolution2.533 Å
Binding residue
(original residue number in PDB)		E64 E102 F109
Binding residue
(residue number reindexed from 1)		E39 E77 F84
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.17,Kd=6.7mM
BindingDB: Kd=6.7nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006511 ubiquitin-dependent protein catabolic process

View graph for
Biological Process
External links
PDB RCSB:6gmx, PDBe:6gmx, PDBj:6gmx
PDBsum6gmx
PubMed30040896
UniProtQ15369|ELOC_HUMAN Elongin-C (Gene Name=ELOC)

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