Structure of PDB 2ajz Chain A Binding Site BS01
Receptor Information
>2ajz Chain A (length=216) Species:
10090
(Mus musculus) [
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DIVITQDELSNPVTSGESVSISCRSSRSLLYKDGRTYLNWFLQRPGQSPQ
LLIYLMSTRASGVSDRFSGSGSGTDFTLEISRVKAEDVGVYYCQQFVEYP
FTFGSGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNR
Ligand information
Ligand ID
ECG
InChI
InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
InChIKey
QIQNNBXHAYSQRY-UYXSQOIJSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(OC)C2C1N(C)C(CC1)CC2O
OpenEye OEToolkits 1.5.0
C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC
CACTVS 3.341
COC(=O)[C@H]1[C@@H](O)C[C@@H]2CC[C@H]1N2C
CACTVS 3.341
COC(=O)[CH]1[CH](O)C[CH]2CC[CH]1N2C
OpenEye OEToolkits 1.5.0
CN1C2CCC1C(C(C2)O)C(=O)OC
Formula
C10 H17 N O3
Name
3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER;
ECGONINE METHYL ESTER
ChEMBL
CHEMBL1232472
DrugBank
DB04688
ZINC
ZINC000004654765
PDB chain
2ajz Chain A Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
2ajz
Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
Y27D Y32 V92 Y94 F96
Binding residue
(residue number reindexed from 1)
Y31 Y37 V97 Y99 F101
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Biological Process
GO:0030183
B cell differentiation
Cellular Component
GO:0005576
extracellular region
GO:0005886
plasma membrane
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:2ajz
,
PDBe:2ajz
,
PDBj:2ajz
PDBsum
2ajz
PubMed
16472740
UniProt
P01837
|IGKC_MOUSE Immunoglobulin kappa constant (Gene Name=Igkc)
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