Structure of PDB 1xre Chain B Binding Site BS01

Receptor Information
>1xre Chain B (length=201) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFQLPKLSYDYDELEPYIDSNTLSIHHGKHHATYVNNLNAALENYSELHN
KSLEELLCNLETLPKEIVTAVRNNGGGHYCHSLFWEVMSPRGGGEPNGDV
AKVIDYYFNTFDNLKDQLSKAAISRFGSGYGWLVLDGEELSVMSTPNQDT
PLQEGKIPLLVIDVWEHAYYLKYQNRRPEFVTNWWHTVNWDRVNEKYLQA
I
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 chain1xre Chain B Residue 209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xre Structures of two superoxide dismutases from Bacillus anthracis reveal a novel active centre.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H28 H83 D165 H169
Binding residue
(residue number reindexed from 1)		H26 H81 D163 H167
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals

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Molecular Function
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Biological Process
External links
PDB RCSB:1xre, PDBe:1xre, PDBj:1xre
PDBsum1xre
PubMed16511113
UniProtQ81JK8|SODM2_BACAN Superoxide dismutase [Mn] 2 (Gene Name=sodA2)

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