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Receptor Information

>2ajy Chain L (length=216) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DIVITQDELSNPVTSGESVSISCRSSRSLLYKDGRTYLNWFLQRPGQSPQ
LLIYLMSTRASGVSDRFSGSGSGTDFTLEISRVKAEDVGVYYCQQFVEYP
FTFGSGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNR

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

PDB chain

2ajy Chain L Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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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)	Y27D Y32 F91 V92 Y94 F96
Binding residue (residue number reindexed from 1)	Y31 Y37 F96 V97 Y99 F101
Annotation score	1

Enzyme Commision number

	Biological Process
GO:0030183	B cell differentiation

	Cellular Component
GO:0005576	extracellular region
GO:0005886	plasma membrane

PDB	RCSB:2ajy, PDBe:2ajy, PDBj:2ajy
PDBsum	2ajy
PubMed	16472740
UniProt	P01837\|IGKC_MOUSE Immunoglobulin kappa constant (Gene Name=Igkc)

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Structure of PDB 2ajy Chain L Binding Site BS02