Structure of PDB 6xq5 Chain A Binding Site BS01

Receptor Information
>6xq5 Chain A (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 IDV6M
InChIInChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19)
InChIKeyOSOLISRTJWBBIW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3
OpenEye OEToolkits 2.0.7Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O
ACDLabs 12.01c2(c(c1ccccc1)c3c(n2)c(ccc3)C)C(O)=O
FormulaC16 H13 N O2
Name7-methyl-3-phenyl-1H-indole-2-carboxylic acid
ChEMBLCHEMBL2314511
DrugBank
ZINCZINC000012650903
PDB chain6xq5 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

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PDB6xq5 A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E50 K52 R98 C99 Q100 K110 S111 N112
Binding residue
(residue number reindexed from 1)		E31 K33 R79 C80 Q81 K91 S92 N93
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6xq5, PDBe:6xq5, PDBj:6xq5
PDBsum6xq5
PubMed34156100
UniProtQ15109|RAGE_HUMAN Advanced glycosylation end product-specific receptor (Gene Name=AGER)

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