Research workbench

Sulfur oxygenase reductase from acidianus ambivalens

Analyse Sulfur oxygenase reductase from acidianus ambivalens in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2CB2
Type: protein
Length: 1,842 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfur oxygenase reductase
UniProt: P29082
Ligands: FE
Pockets: 19 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Sulfur oxygenase reductase	protein	307	36% helix, 31% strand	P29082

Ligands and binding sites

FE · Fe (III) ion · metal · 6 copies · chains A, B, C, D, E, F

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

Pockets

19 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	954	0.88	0.89	86	empty
2	936	0.88	0.89	85	empty
3	937	0.87	0.89	83	empty
4	582	0.84	0.89	83	empty
5	822	0.84	0.86	102	empty

Interfaces

8 interfaces between chains.

A–B · 2432 Å² buried · 47 hydrogen bonds · protein-protein
C–E · 2424 Å² buried · 51 hydrogen bonds · protein-protein
D–F · 2417 Å² buried · 50 hydrogen bonds · protein-protein
D–E · 1289 Å² buried · 10 hydrogen bonds · protein-protein
B–E · 1284 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (oxidation).

Compared structures

2CB2 · Sulfur Oxygenase Reductase from Acidianus Ambivalens · the same entry in another collection · chain C against C, TM-score 1.00
P29082 · AlphaFold monomer V2.0 prediction for sulfur OXYGENASE/REDUCTASE (P29082) · a predicted model of the same protein · chain A against A, TM-score 1.00

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 P29082
Elsewhere: RCSB PDB 2CB2 · PDBe 2CB2 · UniProt P29082

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