Structure of PDB 6xq8 Chain B Binding Site BS03

Receptor Information

>6xq8 Chain B (length=206) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GAMAQNITARIGEPLVLKCKGAPKKPPQRLEWKLNTGRTEAWKVLSPQGG
GPWDSVARVLPNGSLFLPAVGIQDEGIFRCQAMNRNGKETKSNYRVRVYQ
IPGKPEIVDSASELTAGVPNKVGTCVSEGSYPAGTLSWHLDGKPLVPNEK
GVSVKEQTRRHPETGLFTLQSELMVTPARGGDPRPTFSCSFSPALRTAPI
QPRVWE

Ligand information

Ligand ID

V6P

InChI

InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H

InChIKey

HBUCPZGYBSEEHF-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	Oc1cccc(Oc2ccccc2)c1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2cccc(c2)O
ACDLabs 12.01	c1c(cccc1O)Oc2ccccc2

Formula

C12 H10 O2

Name

3-phenoxyphenol

PDB chain

6xq8 Chain B Residue 306 [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	6xq8 A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Resolution	1.82 Å
Binding residue (original residue number in PDB)	L49 E50 S65 P66 Q100
Binding residue (residue number reindexed from 1)	L30 E31 S46 P47 Q81
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6xq8, PDBe:6xq8, PDBj:6xq8
PDBsum	6xq8
PubMed	34156100
UniProt	Q15109\|RAGE_HUMAN Advanced glycosylation end product-specific receptor (Gene Name=AGER)

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