MolNFT v1 · #86737 · protein
Superoxide reductase (neelaredoxin) from archaeoglobus fulgidus E12Q mutant
4BFK: “Superoxide reductase (neelaredoxin) from archaeoglobus fulgidus E12Q mutant”. X-ray diffraction, 1 ligand (FE), 8 pockets (best druggability 0.83). MolNFT v1 #86737 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4BFK
- Type
- protein
- Length
- 499 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide reductase
- EC
- 1.15.1.2
- UniProt
- O29903
- Ligands
- FE
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Superoxide reductase (EC 1.15.1.2) | protein | 124 | 0% helix, 52% strand | O29903 |
| B, C, D | Superoxide reductase (EC 1.15.1.2) | protein | 125 | 0% helix, 54% strand | O29903 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 215 | 0.83 | 0.97 | 42 | empty |
| 2 | 207 | 0.83 | 0.97 | 41 | empty |
| 3 | 216 | 0.46 | 0.74 | 43 | empty |
| 4 | 102 | 0.38 | 0.75 | 22 | empty |
| 5 | 91 | 0.33 | 0.74 | 24 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1217 Ų buried · 24 hydrogen bonds · protein-protein
- B–D · 1213 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 960 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 914 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 489 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4BFK · Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant · the same entry in another collection · chain A against A, TM-score 1.00
- O29903 · AlphaFold monomer V2.0 prediction for putative superoxide reductase (O29903) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 O29903
- Elsewhere: RCSB PDB 4BFK · PDBe 4BFK · UniProt O29903
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