Structure of PDB 2ajs Chain H Binding Site BS01

Receptor Information
>2ajs Chain H (length=219) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLSESGPGLVKPSQSLSLTCTVTGYSITTNYAWTWIRQFPGNKLEWMG
YIRSSVITRYNPSLKSRISITQDTSKNQFFLQLNSVTTEDTATYYCARYD
YYGNTGDYWGQGTSVTVSSAKTTPPSVYPLAPGTAALKSSMVTLGCLVKG
YFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLTSSVTVPSSTWPSQTVT
CNVAHPASSTKVDKKIVPR
Ligand information
Ligand IDP33
InChIInChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2
InChIKeyXPJRQAIZZQMSCM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCO
ACDLabs 10.04O(CCOCCO)CCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCO)O
FormulaC14 H30 O8
Name3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL;
HEPTAETHYLENE GLYCOL;
PEG330
ChEMBL
DrugBankDB03394
ZINCZINC000005178829
PDB chain2ajs Chain H Residue 701 [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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PDB2ajs Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T35A W47 Y50 Y97
Binding residue
(residue number reindexed from 1)		T36 W48 Y51 Y101
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links