Structure of PDB 6xq8 Chain A Binding Site BS02

Receptor Information
>6xq8 Chain A (length=205) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMAQNITARIGEPLVLKCKGAPKKPPQRLEWKLNTGRTEAWKVLSPQGG
GPWDSVARVLPNGSLFLPAVGIQDEGIFRCQAMNRNGKETKSNYRVRVYQ
IPGKPEIVDSASELTAGVPNKVGTCVSEGSYPAGTLSWHLDGKPLVPNEK
GVSVKEQTRRHPETGLFTLQSELMVTPARGGDPRPTFSCSFSPLRTAPIQ
PRVWE
Ligand information
Ligand IDV6P
InChIInChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H
InChIKeyHBUCPZGYBSEEHF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cccc(Oc2ccccc2)c1
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2cccc(c2)O
ACDLabs 12.01c1c(cccc1O)Oc2ccccc2
FormulaC12 H10 O2
Name3-phenoxyphenol
ChEMBLCHEMBL2163966
DrugBank
ZINCZINC000000261807
PDB chain6xq8 Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6xq8 A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		R48 L49 E50 Q100
Binding residue
(residue number reindexed from 1)		R29 L30 E31 Q81
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6xq8, PDBe:6xq8, PDBj:6xq8
PDBsum6xq8
PubMed34156100
UniProtQ15109|RAGE_HUMAN Advanced glycosylation end product-specific receptor (Gene Name=AGER)

[Back to BioLiP]