Structure of PDB 1vr0 Chain A Binding Site BS01

Receptor Information
>1vr0 Chain A (length=236) Species: 1488 (Clostridium acetobutylicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKIDLIISADDIKEEKVKNKTAVVIDMLRATSVITTALNNGCKRVVPVL
TVEEALKKVKEYGKDAILGGERKGLKIEGFDFSNSPMEYTEDVVKGKTLI
MTTTNGTRAIKGSETARDILIGSVLNGEAVAEKIVELNNDVVIVNAGTYG
EFSIDDFICSGYIINCVMDRMKKLELTDAATTAQYVYKTNEDIKGFVKYA
KHYKRIMELGLKKDFEYCCKKDIVKLVPQYTNGEIL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1vr0 Chain A Residue 400 [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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PDB1vr0 Crystal structure of 2-phosphosulfolactate phosphatase (ComB) from Clostridium acetobutylicum at 2.6 A resolution reveals a new fold with a novel active site.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		D26 G146 D155
Binding residue
(residue number reindexed from 1)		D27 G147 D156
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.71: 2-phosphosulfolactate phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0050532 2-phosphosulfolactate phosphatase activity
GO:0050545 sulfopyruvate decarboxylase activity

View graph for
Molecular Function
External links
PDB RCSB:1vr0, PDBe:1vr0, PDBj:1vr0
PDBsum1vr0
PubMed16927339
UniProtQ97E82|COMB_CLOAB Probable 2-phosphosulfolactate phosphatase (Gene Name=comB)

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