Structure of PDB 3shd Chain J Binding Site BS01

Receptor Information
>3shd Chain J (length=150) Species: 405955 (Escherichia coli APEC O1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFKPHVTVACVVHAEGKFLVVEETINGKALWNQPAGHLEADETLVEAAAR
ELWEETGISAQPQHFIRMHQWIAPDKTPFLRFLFAIELEQICPTQPHDSD
IDCCRWVSAEEILQASNLRSPLVAESIRCYQSGQRYPLEMIGDFNWPFTK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3shd Chain J Residue 154 [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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PDB3shd Structure and atypical hydrolysis mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E51 E55
Binding residue
(residue number reindexed from 1)		E51 E55
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0004787 thiamine diphosphate phosphatase activity
GO:0016787 hydrolase activity
GO:0017110 nucleoside diphosphate phosphatase activity
GO:0017111 ribonucleoside triphosphate phosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:3shd, PDBe:3shd, PDBj:3shd
PDBsum3shd
PubMed
UniProtA1AA28|NUDJ_ECOK1 Phosphatase NudJ (Gene Name=nudJ)

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