Research workbench
Crystal structure of the anaerobic ribonucleotide reductase from thermotoga maritima with glycerol in the active site
Analyse Crystal structure of the anaerobic ribonucleotide reductase from thermotoga… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4COI
- Type
- protein
- Length
- 1,217 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anaerobic ribonucleoside-triphosphate reductase
- EC
- 1.17.4.2
- UniProt
- Q9WYL6
- Ligands
- ZN
- Pockets
- 16 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anaerobic ribonucleoside-triphosphate reductase (EC 1.17.4.2) | protein | 606 | 50% helix, 15% strand | Q9WYL6 |
| B | Anaerobic ribonucleoside-triphosphate reductase (EC 1.17.4.2) | protein | 611 | 52% helix, 16% strand | Q9WYL6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 648 | 0.87 | 0.91 | 74 | GOL |
| 2 | 422 | 0.81 | 0.89 | 61 | GOL |
| 3 | 164 | 0.71 | 0.89 | 28 | empty |
| 4 | 130 | 0.66 | 0.88 | 21 | empty |
| 5 | 281 | 0.59 | 0.79 | 40 | empty |
Interfaces
1 interface between chains.
- A–B · 3839 Ų buried · 44 hydrogen bonds · protein-protein
Compared structures
- 4COI · Crystal structure of the anaerobic ribonucleotide reductase from Thermotoga maritima with… · 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 Q9WYL6
- Elsewhere: RCSB PDB 4COI · PDBe 4COI · UniProt Q9WYL6
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