MolNFT v1 · #188484 · protein
Structure of the L. blandensis dgtpase R37A mutant
7TU1 · Dgtp triphosphohydrolase: “Structure of the L. blandensis dgtpase R37A mutant”. X-ray diffraction, 1 ligand (SO4), 13 pockets (best druggability 0.76). MolNFT v1 #188484 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7TU1
- Type
- protein
- Length
- 1,305 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dgtp triphosphohydrolase
- UniProt
- A3XHN1
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Dgtp triphosphohydrolase | protein | 435 | 66% helix, 2% strand | A3XHN1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 584 | 0.76 | 0.83 | 66 | SO4 |
| 2 | 927 | 0.74 | 0.78 | 107 | empty |
| 3 | 450 | 0.74 | 0.83 | 52 | SO4 |
| 4 | 515 | 0.73 | 0.82 | 49 | SO4 |
| 5 | 166 | 0.46 | 0.76 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–C · 680 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 663 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 633 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7TU1 · Structure of the L. blandensis dGTPase R37A mutant · 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 A3XHN1
- Elsewhere: RCSB PDB 7TU1 · PDBe 7TU1 · UniProt A3XHN1
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