MolNFT v1 · #24590 · protein
Crystal structure of the class ib ribonucleotide reductase R2F-2 subunit from mycobacterium tuberculosis
1UZR · Ribonucleotide reductase R2-2 small subunit: “Crystal structure of the class ib ribonucleotide reductase R2F-2 subunit from mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (FE), 4 pockets (best druggability 0.61). MolNFT v1…
- PDB
- 1UZR
- Type
- protein
- Length
- 853 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonucleotide reductase R2-2 small subunit
- EC
- 1.17.4.1
- UniProt
- Q50549
- Ligands
- FE
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 3 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonucleotide reductase R2-2 small subunit (EC 1.17.4.1) | protein | 282 | 79% helix, 0% strand | Q50549 |
| B | Ribonucleotide reductase R2-2 small subunit (EC 1.17.4.1) | protein | 288 | 78% helix, 0% strand | Q50549 |
| C | Ribonucleotide reductase R2-2 small subunit (EC 1.17.4.1) | protein | 283 | 79% helix, 0% strand | Q50549 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains A, B, C
- CIT · Citric acid · additive · 3 copies · chains A, B, C
- GOL · Glycerol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 463 | 0.61 | 0.76 | 50 | empty |
| 2 | 250 | 0.53 | 0.76 | 58 | empty |
| 3 | 106 | 0.39 | 0.75 | 22 | empty |
| 4 | 63 | 0.33 | 0.76 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–C · 2050 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 894 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1UZR · Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 subunit 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 Q50549
- Elsewhere: RCSB PDB 1UZR · PDBe 1UZR · UniProt Q50549
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