Structure of PDB 7lml Chain A Binding Site BS04

Receptor Information
>7lml 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 IDY6S
InChIInChI=1S/C9H6INO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
InChIKeyLLSYKFHQMUBJCF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1[nH]c2cc(I)ccc2c1
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc([nH]2)C(=O)O)I
FormulaC9 H6 I N O2
Name6-iodanyl-1~{H}-indole-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000002443762
PDB chain7lml Chain A Residue 308 [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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PDB7lml A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		E50 K52 R98 C99 Q100 K110 N112
Binding residue
(residue number reindexed from 1)		E31 K33 R79 C80 Q81 K91 N93
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7lml, PDBe:7lml, PDBj:7lml
PDBsum7lml
PubMed34156100
UniProtQ15109|RAGE_HUMAN Advanced glycosylation end product-specific receptor (Gene Name=AGER)

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