Structure of PDB 35c8 Chain L Binding Site BS01

Receptor Information

>35c8 Chain L (length=212) Species: 10090 (Mus musculus)

DIVLTQSPAIMSASLGERVTMTCTASSSVSSSNLHWYQQKPGSSPKLWIY
STSNLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCHQYHRSPYTFG
GGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWK
IDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHK
TSTSPIVKSFNR

Ligand information

• Ligand ID: NOX
• InChI: InChI=1S/C18H26N2O4/c21-17(5-4-6-18(22)23)19-16-9-7-15(8-10-16)11-14-20(24)12-2-1-3-13-20/h7-10H,1-6,11-14H2,(H,19,21)(H,22,23)
• InChIKey: RKJXWOJUCCBWSC-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O
  CACTVS 3.341: OC(=O)CCCC(=O)Nc1ccc(CC[N+]2([O-])CCCCC2)cc1
  ACDLabs 10.04: [O-][N+]2(CCc1ccc(NC(=O)CCCC(=O)O)cc1)CCCCC2
• Formula: C18 H26 N2 O4
• Name: N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE
• DrugBank: DB08289
• ZINC: ZINC000006251339
• PDB chain: 35c8 Chain L Residue 212

Receptor-Ligand Complex Structure

Structure summary

• PDB: 35c8 Structural basis for antibody catalysis of a disfavored ring closure reaction.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H34 Y36 L46 Y49 H89 Y91
• Binding residue (residue number reindexed from 1): H35 Y37 L47 Y50 H90 Y92
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0030183 B cell differentiation

Cellular Component

• GO:0005576 extracellular region
• GO:0005886 plasma membrane

External links

• PDB: RCSB:35c8, PDBe:35c8, PDBj:35c8
• PDBsum: 35c8
• PubMed: 10353817
• UniProt: P01837|IGKC_MOUSE Immunoglobulin kappa constant (Gene Name=Igkc)