Structure of PDB 3o91 Chain B Binding Site BS01

Receptor Information
>3o91 Chain B (length=189) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKALISIDYTEDFVADSGKLTAGAPAQAISDAISKVTRLAFERGDYIFFT
IDAHEENDCFHPESKLFPPHNLIGTSGRNLYGDLGIFYQEHGSDSRVFWM
DKRHYSAFSGTDLDIRLRERRVSTVILTGVLTDICVLHTAIDAYNLGYDI
EIVKPAVASIWPENHQFALGHFKNTLGAKLVDENLNELF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3o91 Chain B Residue 192 [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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PDB3o91 High-resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into the catalytic mechanism and inhibition by aldehydes .
Resolution1.63 Å
Binding residue
(original residue number in PDB)		D53 H55 E64 H71 X136
Binding residue
(residue number reindexed from 1)		D52 H54 E63 H70 X135
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D9 A25 D53 H55 H71 K103 R104 L132 C136
Catalytic site (residue number reindexed from 1) D8 A24 D52 H54 H70 K102 R103 L131 C135
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3o91, PDBe:3o91, PDBj:3o91
PDBsum3o91
PubMed20853856
UniProtA0A0H2UR34

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