Structure of PDB 1f3d Chain K Binding Site BS01

Receptor Information
>1f3d Chain K (length=215) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIQLQQSGPELVKPGASVKVSCKASGYSFIDYNIHWVKQSHGKSLEWIGY
IVPYSGGTTFNQKFKGKATLTVDKSSSTAFMHLNSLTFEDSAVYYCANDY
DGVYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPE
PVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVA
HPASSTKVDKKIVPR
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)		H35 V99
Binding residue
(residue number reindexed from 1)		H35 V103
Annotation score1
External links