Structure of PDB 1f3d Chain J Binding Site BS01

Receptor Information
>1f3d Chain J (length=218) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVLMTQTPLSLPVSLGDQVSISCRSSQSIFHSDGKTYLEWHLQKPGQSPK
LLIYKVSKRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVP
YTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNRNA
Ligand information
Ligand IDTPM
InChIInChI=1S/C12H17N3/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9,13H2,(H,14,15)/p+1
InChIKeyFWTCHDHYLQERRE-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CNC2=[NH+]CCCC2)N
CACTVS 3.341Nc1ccc(CNC2=[NH+]CCCC2)cc1
ACDLabs 10.04c1(ccc(N)cc1)CNC2=[NH+]CCCC2
FormulaC12 H18 N3
Name2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM
ChEMBL
DrugBank
ZINC
PDB chain1f3d Chain J Residue 401 [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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PDB1f3d Structural evidence for a programmed general base in the active site of a catalytic antibody.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		E34 F89 G91 Y96 F98
Binding residue
(residue number reindexed from 1)		E39 F94 G96 Y101 F103
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1f3d, PDBe:1f3d, PDBj:1f3d
PDBsum1f3d
PubMed10963661
UniProtA2NHM3

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