Structure of PDB 2i33 Chain A Binding Site BS01

Receptor Information
>2i33 Chain A (length=238) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKLTDQQLMADLWYQTAGEMKALYYQGYNTGQLKLDAALAKGTEKKPAIV
LDLDETVLDNSPHQAMSVKTGKGYPYKWDDWINKAEAEALPGSIDFLKYT
ESKGVDIYYISNRKTNQLDATIKNLERVGAPQATKEHILLQDPKEKGKEK
RRELVSQTHDIVLFFGDNLSDFTGFDGKSVKDRNQAVTDSKAQFGEKFII
FPNPMYGDWEGALYDYNFKKSDAEKDKIRHDNLKSFDA
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 chain2i33 Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2i33 The crystal structure of the Class C acid phosphatase from Bacillus anthracis
Resolution1.57 Å
Binding residue
(original residue number in PDB)		D65 D67 D180
Binding residue
(residue number reindexed from 1)		D52 D54 D167
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Cellular Component
GO:0009279 cell outer membrane

View graph for
Cellular Component
External links
PDB RCSB:2i33, PDBe:2i33, PDBj:2i33
PDBsum2i33
PubMed
UniProtA0A6L7HE29

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