MolNFT v1 · #162198 · protein
Ribonucleotide reductase E441D mutant R1 protein from escherichia COLI
6R1R · Ribonucleotide reductase R1 protein: “Ribonucleotide reductase E441D mutant R1 protein from escherichia COLI”. X-ray diffraction, 19 pockets (best druggability 0.73). MolNFT v1 #162198 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6R1R
- Type
- protein
- Length
- 2,272 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonucleotide reductase R1 protein; Ribonucleotide reductase R2 protein
- EC
- 1.17.4.1
- UniProt
- P00452, P69924
- Pockets
- 19 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 46% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Ribonucleotide reductase R1 protein (EC 1.17.4.1) | protein | 738 | 47% helix, 12% strand | P00452 |
| D, E, F | Ribonucleotide reductase R2 protein | protein | 18 | 28% helix, 11% strand | P69924 |
| P | Ribonucleotide reductase R2 protein | protein | 4 | 0% helix, 0% strand | P69924 |
Pockets
19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 918 | 0.73 | 0.77 | 100 | empty |
| 2 | 779 | 0.72 | 0.78 | 87 | empty |
| 3 | 722 | 0.72 | 0.78 | 82 | empty |
| 4 | 236 | 0.67 | 0.84 | 27 | empty |
| 5 | 130 | 0.58 | 0.83 | 18 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1258 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 948 Ų buried · 8 hydrogen bonds · protein-protein
- B–E · 943 Ų buried · 8 hydrogen bonds · protein-protein
- C–F · 942 Ų buried · 8 hydrogen bonds · protein-protein
- C–P · 246 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6R1R · Ribonucleotide reductase E441D mutant R1 protein from escherichia COLI · the same entry in another collection · chain P against P, TM-score 1.00
- P00452 · AlphaFold monomer V2.0 prediction for ribonucleoside-diphosphate reductase 1 subunit… · 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 P00452
- Every structure of UniProt P69924
- Elsewhere: RCSB PDB 6R1R · PDBe 6R1R · UniProt P00452 · UniProt P69924
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