Structure of PDB 1nd0 Chain A Binding Site BS01

Receptor Information
>1nd0 Chain A (length=219) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVMTQSPKTISVTIGQPASISCKSSQRLLNSNGKTFLNWLLQRPGQSPK
RLIYLGTKLDSGVPDRFTGSGSGTDFTLKISRVEAEDLGVYYCWQGTHFP
YTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNRNEC
Ligand information
Ligand IDDP4
InChIInChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-,15+
InChIKeyHDJXTRKZEHHECC-GASCZTMLSA-N
SMILES
SoftwareSMILES
CACTVS 3.370C[N@+]1([O-])CC[C@H](CC1)[Si](C)(C)c2ccccc2
OpenEye OEToolkits 1.7.0C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-]
ACDLabs 12.01[O-][N+]2(CCC([Si](c1ccccc1)(C)C)CC2)C
CACTVS 3.370C[N+]1([O-])CC[CH](CC1)[Si](C)(C)c2ccccc2
FormulaC14 H23 N O Si
Name(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide
ChEMBL
DrugBankDB07672
ZINC
PDB chain1nd0 Chain A 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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PDB1nd0 Structural Basis for Antibody Catalysis of a Cationic Cyclization Reaction
Resolution2.45 Å
Binding residue
(original residue number in PDB)		N34 W89 G91 Y96
Binding residue
(residue number reindexed from 1)		N39 W94 G96 Y101
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:1nd0, PDBe:1nd0, PDBj:1nd0
PDBsum1nd0
PubMed12742019
UniProtQ58EU8

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