Structure of PDB 25c8 Chain L Binding Site BS01

Receptor Information
>25c8 Chain L (length=212) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIVLTQSPAIMSASLGERVTMTCTASSSVSSSNLHWYQQKPGSSPKLWIY
STSNLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCHQYHRSPYTFG
GGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWK
IDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHK
TSTSPIVKSFNR
Ligand information
Ligand IDGEP
InChIInChI=1S/C19H28N2O3/c1-21(13-3-2-4-14-21)15-12-16-8-10-17(11-9-16)20-18(22)6-5-7-19(23)24/h8-11H,2-7,12-15H2,1H3,(H-,20,22,23,24)/p+1
InChIKeyOKJUVEGXNINONS-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O
CACTVS 3.341C[N+]1(CCCCC1)CCc2ccc(NC(=O)CCCC(O)=O)cc2
ACDLabs 10.04O=C(O)CCCC(=O)Nc1ccc(cc1)CC[N+]2(CCCCC2)C
FormulaC19 H29 N2 O3
NameN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION
ChEMBL
DrugBank
ZINCZINC000006519735
PDB chain25c8 Chain L Residue 212 [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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PDB25c8 Structural basis for antibody catalysis of a disfavored ring closure reaction.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H34 Y36 Y49 Y91
Binding residue
(residue number reindexed from 1)		H35 Y37 Y50 Y92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0030183 B cell differentiation
Cellular Component
GO:0005576 extracellular region
GO:0005886 plasma membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:25c8, PDBe:25c8, PDBj:25c8
PDBsum25c8
PubMed10353817
UniProtP01837|IGKC_MOUSE Immunoglobulin kappa constant (Gene Name=Igkc)

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