MolNFT v1 · #20873 · protein
Azide complex of the diferrous E238A mutant R2 subunit of ribonucleotide reductase
1RSV · Ribonucleoside-diphosphate reductase 1 beta chain: “Azide complex of the diferrous E238A mutant R2 subunit of ribonucleotide reductase”. X-ray diffraction, 3 ligands (HG, FE, AZI), 1 pocket (best druggability 0.74). MolNFT v1 #20873…
- PDB
- 1RSV
- Type
- protein
- Length
- 681 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonucleoside-diphosphate reductase 1 beta chain
- EC
- 1.17.4.1
- UniProt
- P69924
- Ligands
- HG, FE, AZI
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonucleoside-diphosphate reductase 1 beta chain (EC 1.17.4.1) | protein | 340 | 71% helix, 4% strand | P69924 |
| B | Ribonucleoside-diphosphate reductase 1 beta chain (EC 1.17.4.1) | protein | 341 | 68% helix, 4% strand | P69924 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 12 copies · chains A, B
- FE · Fe (III) ion · metal · 4 copies · chains A, B
- AZI · Azide ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.74 | 0.94 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 3097 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 1RSV · azide complex of the diferrous E238A mutant R2 subunit of ribonucleotide reductase · 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 P69924
- Elsewhere: RCSB PDB 1RSV · PDBe 1RSV · UniProt P69924
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