MolNFT v1 · #8659 · protein
Structural basis for allosteric substrate specificity regulation in class III ribonucleotide reductases: nrdd in complex with dttp
1H79 · Anaerobic ribonucleotide-triphosphate reductase large chain: “Structural basis for allosteric substrate specificity regulation in class III ribonucleotide reductases: nrdd…”. X-ray diffraction, 3 ligands (TTP, MG, FE2), 6 pockets…
- PDB
- 1H79
- Type
- protein
- Length
- 559 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anaerobic ribonucleotide-triphosphate reductase large chain
- EC
- 1.17.4.2
- UniProt
- Q9T0V5
- Ligands
- TTP, MG, FE2
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anaerobic ribonucleotide-triphosphate reductase large chain (EC 1.17.4.2) | protein | 559 | 44% helix, 16% strand | Q9T0V5 |
Ligands and binding sites
- TTP · Thymidine-5'-triphosphate · ligand · 2 copies · chains A
- MG · Magnesium ion · metal
- FE2 · Fe (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 369 | 0.69 | 0.81 | 40 | TTP |
| 2 | 203 | 0.62 | 0.82 | 29 | empty |
| 3 | 52 | 0.38 | 0.81 | 15 | empty |
| 4 | 68 | 0.36 | 0.78 | 20 | empty |
| 5 | 64 | 0.36 | 0.78 | 19 | empty |
Compared structures
- 1H79 · Structural basis for allosteric substrate specificity regulation in class III… · 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 Q9T0V5
- Elsewhere: RCSB PDB 1H79 · PDBe 1H79 · UniProt Q9T0V5
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