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Crystal structure of the iron/manganese cambialistic superoxide dismutase from Rhodobacter capsulatus complex with Mn

Analyse Crystal structure of the iron/manganese cambialistic superoxide dismutase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AZR
Type
protein
Length
398 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.1
Source
Rhodobacter capsulatus
Molecule
Superoxide dismutase [Fe]
EC
1.15.1.1
UniProt
O30970
Ligands
MN, CA
Pockets
3 · best druggability 0.55

Structure

x-ray diffraction · resolution 2.1 · 1 distinct chain · 53% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, ESuperoxide dismutase [Fe] (EC 1.15.1.1)protein19953% helix, 12% strandO30970

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 2 copies · chains A, E
  • CA · Calcium ion · metal · 2 copies · chains A, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11850.550.7922empty
21560.520.7919empty
31240.510.8138empty

Interfaces

1 interface between chains.

  • A–E · 1133 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 7AZR · Crystal structure of the IRON/MANGANESE cambialistic superoxide dismutase from… · the same entry in another collection · chain A against A, TM-score 1.00
  • O30970 · AlphaFold monomer V2.0 prediction for superoxide dismutase [fe] (O30970) · a predicted model of the same protein · chain A against A, TM-score 0.99

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