Structure of PDB 6gmr Chain V Binding Site BS02

Receptor Information

>6gmr Chain V (length=149) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRI
HSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLK
ERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAH

Ligand information

Ligand ID

F4K

InChI

InChI=1S/C11H11NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-8,13H,9H2

InChIKey

LQQQPLUFBVYLRE-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	OCc1ccc(cc1)n2cccc2
OpenEye OEToolkits 2.0.6	c1ccn(c1)c2ccc(cc2)CO

Formula

C11 H11 N O

Name

(4-pyrrol-1-ylphenyl)methanol

PDB chain

6gmr Chain V Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6gmr Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
Resolution	1.75 Å
Binding residue (original residue number in PDB)	R120 G127 L128 E134 Y156 E160
Binding residue (residue number reindexed from 1)	R61 G68 L69 E75 Y97 E101
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6gmr, PDBe:6gmr, PDBj:6gmr
PDBsum	6gmr
PubMed	30040896
UniProt	P40337\|VHL_HUMAN von Hippel-Lindau disease tumor suppressor (Gene Name=VHL)

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