Structure of PDB 3tqj Chain A Binding Site BS01

Receptor Information
>3tqj Chain A (length=192) Species: 777 (Coxiella burnetii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFELPDLPYKLNALEPHISQETLEYHHGKHHRAYVNKLNKLIEGTPFEKE
PLEEIIRKSDGGIFNNAAQHWNHTFYWHCMSPDGGGDPSGELASAIDKTF
GSLEKFKALFTDSANNHFGSGWAWLVKDNNGKLEVLSTVNARNPMTEGKK
PLMTCDVWEHAYYIDTRNDRPKYVNNFWQVVNWDFVMKNFKS
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3tqj Chain A Residue 1001 [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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PDB3tqj Structural genomics for drug design against the pathogen Coxiella burnetii.
Resolution2.004 Å
Binding residue
(original residue number in PDB)		H27 H74 D157 H161
Binding residue
(residue number reindexed from 1)		H26 H73 D156 H160
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3tqj, PDBe:3tqj, PDBj:3tqj
PDBsum3tqj
PubMed26033498
UniProtP19685|SODF_COXBU Superoxide dismutase [Fe] (Gene Name=sodB)

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