Structure of PDB 2ajy Chain H Binding Site BS02
Receptor Information
>2ajy Chain H (length=219) Species:
10090
(Mus musculus) [
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EVKLSESGPGLVKPSQSLSLTCTVTGYSITTNYAWTWIRQFPGNKLEWMG
YIRSSVITRYNPSLKSRISITQDTSKNQFFLQLNSVTTEDTATYYCARYD
YYGNTGDYWGQGTSVTVSSAKTTPPSVYPLAPGTAALKSSMVTLGCLVKG
YFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVT
CNVAHPASSTKVDKKIVPR
Ligand information
Ligand ID
BEZ
InChI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey
WPYMKLBDIGXBTP-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(O)c1ccccc1
OpenEye OEToolkits 1.7.6
c1ccc(cc1)C(=O)O
CACTVS 3.370
OC(=O)c1ccccc1
Formula
C7 H6 O2
Name
BENZOIC ACID
ChEMBL
CHEMBL541
DrugBank
DB03793
ZINC
ZINC000000001011
PDB chain
2ajy Chain H Residue 306 [
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Receptor-Ligand Complex Structure
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PDB
2ajy
Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
N32 R52
Binding residue
(residue number reindexed from 1)
N32 R53
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:2ajy
,
PDBe:2ajy
,
PDBj:2ajy
PDBsum
2ajy
PubMed
16472740
UniProt
Q5M842
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