MolNFT v1 · #87139 · protein

Superoxide reductase (neelaredoxin) from ignicoccus hospitalis E23A

4BRV · Desulfoferrodoxin, ferrous iron-binding region: “Superoxide reductase (neelaredoxin) from ignicoccus hospitalis E23A”. X-ray diffraction, 1 ligand (FE), 8 pockets (best druggability 0.81). MolNFT v1 #87139 on GenesisL1: 3D…

PDB: 4BRV
Type: protein
Length: 496 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Desulfoferrodoxin, ferrous iron-binding region
UniProt: A8AC72
Ligands: FE
Pockets: 8 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Desulfoferrodoxin, ferrous iron-binding region	protein	124	14% helix, 49% strand	A8AC72

Ligands and binding sites

FE · Fe (III) ion · metal · 4 copies · chains A, B, C, D

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

Pockets

8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	187	0.81	0.96	27	empty
2	178	0.80	0.96	27	empty
3	91	0.36	0.75	18	empty
4	73	0.34	0.76	17	empty
5	88	0.34	0.74	17	empty

Interfaces

6 interfaces between chains.

A–B · 1611 Å² buried · 15 hydrogen bonds · protein-protein
C–D · 1564 Å² buried · 15 hydrogen bonds · protein-protein
A–D · 1098 Å² buried · 17 hydrogen bonds · protein-protein
B–C · 1084 Å² buried · 20 hydrogen bonds · protein-protein
B–D · 226 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

4BRV · Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis E23A · the same entry in another collection · 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 A8AC72
Elsewhere: RCSB PDB 4BRV · PDBe 4BRV · UniProt A8AC72

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