Structure of PDB 25c8 Chain H Binding Site BS01

Receptor Information
>25c8 Chain H (length=217) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLQQSGAELVKPGASVKLSCTASGFNIKDTYMHWVKQKPEQGLEWIAQ
IDPANGNTKYDPKFQGKATITADTSSNTAYLHLSSLTSEDSAVYYCAADP
PYYGHGDYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKG
YFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVT
CNVAHPASSTKVDKKIV
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)		H35 D95 P96 G100 H100A G100B D101
Binding residue
(residue number reindexed from 1)		H35 D99 P100 G104 H105 G106 D107
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:25c8, PDBe:25c8, PDBj:25c8
PDBsum25c8
PubMed10353817
UniProtP01869|IGH1M_MOUSE Ig gamma-1 chain C region, membrane-bound form (Gene Name=Ighg1)

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