Structure of PDB 4dvh Chain B Binding Site BS01

Receptor Information
>4dvh Chain B (length=203) Species: 353153 (Trypanosoma cruzi strain CL Brener) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHAPAELPKLGFNWKDGCAPVFSPRQMELHYTKHHKAYVDKLNALAGTTY
DGKSIEEIILAVANDAEKKGLFNQAAQHFNHTFYFRCITPNGKAMPKSLE
SAVTAQFGSVEQFKDAFVQAGVNNFGSGWTWLCVDPSNKNQLVIDNTSNA
GCPLTKGLRPVLAVDVWEHAYYKDFENRRPDYLKEIWSVIDWEFVAKMHA
QAI
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 chain4dvh Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dvh Structural and Molecular Basis of the Peroxynitrite-mediated Nitration and Inactivation of Trypanosoma cruzi Iron-Superoxide Dismutases (Fe-SODs) A and B: DISPARATE SUSCEPTIBILITIES DUE TO THE REPAIR OF TYR35 RADICAL BY CYS83 IN Fe-SODB THROUGH INTRAMOLECULAR ELECTRON TRANSFER.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		H28 H79 D163 H167
Binding residue
(residue number reindexed from 1)		H30 H81 D165 H169
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4dvh, PDBe:4dvh, PDBj:4dvh
PDBsum4dvh
PubMed24616096
UniProtQ4DCQ3

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