Structure of PDB 2mov Chain A Binding Site BS01

Receptor Information
>2mov Chain A (length=105) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSAQNITARIGEPLVLKCKGAPKKPPQRLEWKLNTGRTEAWKVLSPQGGG
PWDSVARVLPNGSLFLPAVGIQDEGIFRCQAMNRNGKETKSNYRVRVYQI
PGKPE
Ligand information
Ligand IDIOR
InChIInChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5-,6+/m1/s1
InChIKeyKGQMQNPFMOBJCY-RITPCOANSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1C(=O)N=C(N1)NCCCC(C(=O)O)N
CACTVS 3.385C[C@H]1NC(=NC1=O)NCCC[C@H](N)C(O)=O
CACTVS 3.385C[CH]1NC(=NC1=O)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N
ACDLabs 12.01O=C1N=C(NCCCC(C(=O)O)N)NC1C
FormulaC9 H16 N4 O3
NameN~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine
ChEMBL
DrugBank
ZINCZINC000014592707
PDB chain2mov Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2mov The Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal-Derived AGEs.
ResolutionN/A
Binding residue
(original residue number in PDB)		R78 C79 Q80 K90 N92
Binding residue
(residue number reindexed from 1)		R78 C79 Q80 K90 N92
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.40,Kd=40nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2mov, PDBe:2mov, PDBj:2mov
PDBsum2mov
PubMed24824951
UniProtQ15109|RAGE_HUMAN Advanced glycosylation end product-specific receptor (Gene Name=AGER)

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