Structure of PDB 4gun Chain I Binding Site BS01

Receptor Information

>4gun Chain I (length=205) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ITENEKISLPKIDWALDALEPYISKEINDLHINKHHVAYVNGYNAAIDAL
EKAVGKRDLKSVVEIQQNIKFHGGGHTNHSLFWKNLAPVSKGGGKHPDTS
SALGKQIVAQYGSVSNLIDITNSKLAGIQGSGWAFIVKNKQNGGALDVVT
TANQDTISAPHLVPIIAIDAWEHAYYLQYQNVRPDYFKAIWNVINWAEAE
SRYSA

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

4gun Chain I Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4gun Crystal Structure of the K184R, L185P mutant manganese superoxide dismutase from Candida albicans cytosol
Resolution	1.94 Å
Binding residue (original residue number in PDB)	H32 H80 D170 H174
Binding residue (residue number reindexed from 1)	H31 H79 D169 H173
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.15.1.1: superoxide dismutase.

Gene Ontology

	Molecular Function
GO:0004784	superoxide dismutase activity
GO:0016209	antioxidant activity
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

	Biological Process
GO:0006801	superoxide metabolic process
GO:0019430	removal of superoxide radicals
GO:0098869	cellular oxidant detoxification

	Cellular Component
GO:0005739	mitochondrion

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Cellular Component

External links

PDB	RCSB:4gun, PDBe:4gun, PDBj:4gun
PDBsum	4gun
PubMed
UniProt	Q96UT6

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