Structure of PDB 6gmq Chain I Binding Site BS01

Receptor Information
>6gmq Chain I (length=144) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHS
YRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKER
CLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQER
Ligand information
Ligand IDF4K
InChIInChI=1S/C11H11NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-8,13H,9H2
InChIKeyLQQQPLUFBVYLRE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCc1ccc(cc1)n2cccc2
OpenEye OEToolkits 2.0.6c1ccn(c1)c2ccc(cc2)CO
FormulaC11 H11 N O
Name(4-pyrrol-1-ylphenyl)methanol
ChEMBLCHEMBL4244103
DrugBank
ZINCZINC000000159036
PDB chain6gmq Chain I Residue 302 [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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PDB6gmq Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
Resolution2.755 Å
Binding residue
(original residue number in PDB)		L118 R120 G127 L128 L129 E134 L201
Binding residue
(residue number reindexed from 1)		L57 R59 G66 L67 L68 E73 L140
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.30,Kd=5.0mM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6gmq, PDBe:6gmq, PDBj:6gmq
PDBsum6gmq
PubMed30040896
UniProtP40337|VHL_HUMAN von Hippel-Lindau disease tumor suppressor (Gene Name=VHL)

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