Structure of PDB 1ids Chain B Binding Site BS01

Receptor Information
>1ids Chain B (length=198) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEYTLPDLDWDYGALEPHISGQINELHHSKHHATYVKGANDAVAKLEEAR
AKEDHSAILLNEKNLAFNLAGHVNHTIWWKNLSPNGGDKPTGELAAAIAD
AFGSFDKFRAQFHAAATTVQGSGWAALGWDTLGNKLLIFQVYDHQTNFPL
GIVPLLLLDMWEHAFYLQYKNVKVDFAKAFWNVVNWADVQSRYAAATS
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain1ids Chain B Residue 208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ids X-ray structure analysis of the iron-dependent superoxide dismutase from Mycobacterium tuberculosis at 2.0 Angstroms resolution reveals novel dimer-dimer interactions.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H28 H76 D160 H164
Binding residue
(residue number reindexed from 1)		H27 H75 D159 H163
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0006979 response to oxidative stress
GO:0019430 removal of superoxide radicals
GO:0098754 detoxification
Cellular Component
GO:0005576 extracellular region
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0042597 periplasmic space

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Biological Process
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Cellular Component
External links
PDB RCSB:1ids, PDBe:1ids, PDBj:1ids
PDBsum1ids
PubMed7877174
UniProtP9WGE7|SODF_MYCTU Superoxide dismutase [Fe] (Gene Name=sodB)

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