MolNFT v1 · #173434 · protein

Crystal structure of the IRON/MANGANESE cambialistic superoxide dismutase from rhodobacter capsulatus complex with fe

7AZQ · Superoxide dismutase [fe]: “Crystal structure of the IRON/MANGANESE cambialistic superoxide dismutase from rhodobacter capsulatus complex…”. X-ray diffraction, 2 ligands (FE, CA), 3 pockets (best druggability 0.55). MolNFT v1…

PDB: 7AZQ
Type: protein
Length: 398 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Superoxide dismutase [fe]
EC: 1.15.1.1
UniProt: O30970
Ligands: FE, CA
Pockets: 3 · best druggability 0.55

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E	Superoxide dismutase [fe] (EC 1.15.1.1)	protein	199	53% helix, 12% strand	O30970

Ligands and binding sites

FE · Fe (III) ion · metal · 2 copies · chains A, E
CA · Calcium ion · metal · chains 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	182	0.55	0.79	22	empty
2	168	0.52	0.79	21	empty
3	99	0.51	0.83	37	empty

Interfaces

1 interface between chains.

A–E · 1132 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

7AZQ · 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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt O30970
Elsewhere: RCSB PDB 7AZQ · PDBe 7AZQ · UniProt O30970

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