MolNFT v1 · #148437 · protein
R2-like ligand-binding oxidase V72L mutant with anaerobically reconstituted MN/FE cofactor
6F6K · Ribonucleotide reductase small subunit: “R2-like ligand-binding oxidase V72L mutant with anaerobically reconstituted MN/FE cofactor”. X-ray diffraction, 3 ligands (DAO, FE2, MN), 5 pockets (best druggability 0.76). MolNFT v1 #148437…
- PDB
- 6F6K
- Type
- protein
- Length
- 545 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonucleotide reductase small subunit
- EC
- 1.17.4.1
- UniProt
- Q5KW80
- Ligands
- DAO, FE2, MN
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonucleotide reductase small subunit (EC 1.17.4.1) | protein | 272 | 81% helix, 0% strand | Q5KW80 |
| B | Ribonucleotide reductase small subunit (EC 1.17.4.1) | protein | 273 | 80% helix, 0% strand | Q5KW80 |
Ligands and binding sites
- DAO · Lauric acid · ligand · 2 copies · chains A, B
- FE2 · Fe (II) ion · metal · 4 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.76 | 0.91 | 32 | DAO |
| 2 | 257 | 0.76 | 0.89 | 41 | DAO |
| 3 | 107 | 0.74 | 0.95 | 23 | empty |
| 4 | 105 | 0.46 | 0.79 | 22 | empty |
| 5 | 116 | 0.46 | 0.78 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2693 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 6F6K · R2-like ligand-binding oxidase V72L mutant with anaerobically reconstituted Mn/Fe cofactor · 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 Q5KW80
- Elsewhere: RCSB PDB 6F6K · PDBe 6F6K · UniProt Q5KW80
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