MolNFT v1 · #165313 · protein
Crystal structure of apo (metal-free) ribonucleotide reductase nrdf L61G variant from bacillus anthracis
6TQX · Ribonucleoside-diphosphate reductase subunit beta: “Crystal structure of apo (metal-free) ribonucleotide reductase nrdf L61G variant from bacillus anthracis”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.76).…
- PDB
- 6TQX
- Type
- protein
- Length
- 570 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonucleoside-diphosphate reductase subunit beta
- EC
- 1.17.4.1
- UniProt
- Q81TB4
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ribonucleoside-diphosphate reductase subunit beta (EC 1.17.4.1) | protein | 285 | 79% helix, 0% strand | Q81TB4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.76 | 0.99 | 19 | empty |
| 2 | 70 | 0.75 | 0.98 | 20 | empty |
| 3 | 194 | 0.53 | 0.78 | 30 | SO4 |
| 4 | 204 | 0.50 | 0.76 | 27 | SO4 |
| 5 | 67 | 0.37 | 0.78 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 2342 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6TQX · Crystal structure of apo (metal-free) ribonucleotide reductase NrdF L61G variant from… · 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 Q81TB4
- Elsewhere: RCSB PDB 6TQX · PDBe 6TQX · UniProt Q81TB4
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