Structure of PDB 6xq7 Chain B Binding Site BS03

Receptor Information
>6xq7 Chain B (length=212) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMAQNITARIGEPLVLKCKGAPKKPPQRLEWKLNTGRTEAWKVLSPQGG
GPWDSVARVLPNGSLFLPAVGIQDEGIFRCQAMNRNGKETKSNYRVRVYQ
IPGKPEIVDSASELTAGVPNKVGTCVSEGSYPAGTLSWHLDGKPLVPNEK
GVSVKEQTRRHPETGLFTLQSELMVTPARGGDPRPTFSCSFSPGLPRHRA
LRTAPIQPRVWE
Ligand information
Ligand IDV6V
InChIInChI=1S/C10H8BrNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKeyYUMRTSLYUVLHQK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c2cc(ccc2[nH]c1C(=O)O)Br
ACDLabs 12.01Cc2c1c(ccc(c1)Br)nc2C(O)=O
CACTVS 3.385Cc1c([nH]c2ccc(Br)cc12)C(O)=O
FormulaC10 H8 Br N O2
Name5-bromo-3-methyl-1H-indole-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000000521431
PDB chain6xq7 Chain B Residue 309 [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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PDB6xq7 A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		I91 R179 H180 P181 T183 G184
Binding residue
(residue number reindexed from 1)		I72 R160 H161 P162 T164 G165
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6xq7, PDBe:6xq7, PDBj:6xq7
PDBsum6xq7
PubMed34156100
UniProtQ15109|RAGE_HUMAN Advanced glycosylation end product-specific receptor (Gene Name=AGER)

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