MolNFT v1 · #18118 · protein
Ribonucleotide reductase protein R1E from salmonella typhimurium
1PEQ · Ribonucleoside-diphosphate reductase 2 alpha chain: “Ribonucleotide reductase protein R1E from salmonella typhimurium”. X-ray diffraction, 2 ligands (TTP, MG), 9 pockets (best druggability 0.69). MolNFT v1 #18118 on GenesisL1: 3D…
- PDB
- 1PEQ
- Type
- protein
- Length
- 679 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonucleoside-diphosphate reductase 2 alpha chain
- EC
- 1.17.4.1
- UniProt
- Q08698
- Ligands
- TTP, MG
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonucleoside-diphosphate reductase 2 alpha chain (EC 1.17.4.1) | protein | 679 | 48% helix, 12% strand | Q08698 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 544 | 0.69 | 0.79 | 76 | empty |
| 2 | 61 | 0.50 | 0.86 | 20 | empty |
| 3 | 133 | 0.44 | 0.77 | 20 | empty |
| 4 | 92 | 0.40 | 0.78 | 24 | empty |
| 5 | 99 | 0.40 | 0.76 | 15 | TTP |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1PEQ · Ribonucleotide Reductase Protein R1E from Salmonella typhimurium · the same entry in another collection · chain A against A, TM-score 1.00
- Q08698 · AlphaFold monomer V2.0 prediction for ribonucleoside-diphosphate reductase 2 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 Q08698
- Elsewhere: RCSB PDB 1PEQ · PDBe 1PEQ · UniProt Q08698
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