Structure of PDB 2gds Chain A Binding Site BS01

Receptor Information
>2gds Chain A (length=198) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHSLPDLPYDYGALEPHINAQIMQLHHSKNHAAYVNNLNVTEEKYQEALA
KGDVTAQIALQPALKFNGGGHINHSIFWTNLSPNGGGEPKGELLEAIKRD
FGSFDKFKEKLTAASVGVQGSGWGWLGFNKERGHLQIAACPNQDPLQGTT
GLIPLLGIDVWEHAYYLQYKNVRPDYLKAIWNVINWENVTERYMACKK
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 chain2gds Chain A Residue 199 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gds Interrupting the Hydrogen Bond Network at the Active Site of Human Manganese Superoxide Dismutase
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H26 H74 D159 H163
Binding residue
(residue number reindexed from 1)		H26 H74 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: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:2gds, PDBe:2gds, PDBj:2gds
PDBsum2gds
PubMed10488113
UniProtP04179|SODM_HUMAN Superoxide dismutase [Mn], mitochondrial (Gene Name=SOD2)

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