MolNFT v1 · #15216 · protein
High resolution structure of ribonucleotide reductase R2 from E. COLI in its oxidised (met) form
1MXR: “High resolution structure of ribonucleotide reductase R2 from E. COLI in its oxidised (met) form”. X-ray diffraction, 2 ligands (HG, FE), 3 pockets (best druggability 0.74). MolNFT v1 #15216 on GenesisL1: 3D structure, binding sites…
- PDB
- 1MXR
- Type
- protein
- Length
- 678 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonucleotide reductase R2
- EC
- 1.17.4.1
- UniProt
- P69924
- Ligands
- HG, FE
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ribonucleotide reductase R2 (EC 1.17.4.1) | protein | 339 | 69% helix, 4% strand | P69924 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 11 copies · chains A, B
- FE · Fe (III) ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 123 | 0.74 | 0.94 | 27 | empty |
| 2 | 73 | 0.59 | 0.88 | 20 | HG |
| 3 | 89 | 0.49 | 0.82 | 18 | HG |
Interfaces
1 interface between chains.
- A–B · 3142 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 1MXR · High resolution structure of Ribonucleotide reductase R2 from E. coli in its oxidised… · the same entry in another collection · chain A against A, TM-score 1.00
- P69924 · AlphaFold monomer V2.0 prediction for ribonucleoside-diphosphate reductase 1 subunit beta… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P69924
- Elsewhere: RCSB PDB 1MXR · PDBe 1MXR · UniProt P69924
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