MolNFT v1 · #188687 · protein
Structure of E. COLI dgtpase bound to T7 bacteriophage protein GP1.2 and dgtp
7U66 · Deoxyguanosinetriphosphate triphosphohydrolase: “Structure of E. COLI dgtpase bound to T7 bacteriophage protein GP1.2 and dgtp”. Electron microscopy, 2 ligands (DGT, MG), 20 pockets (best druggability 0.85). MolNFT v1 #188687 on…
- PDB
- 7U66
- Type
- protein
- Length
- 3,348 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deoxyguanosinetriphosphate triphosphohydrolase; Inhibitor of dgtpase
- EC
- 3.1.5.1
- UniProt
- P15723, P03780
- Ligands
- DGT, MG
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 2 distinct chains · 58% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Deoxyguanosinetriphosphate triphosphohydrolase (EC 3.1.5.1) | protein | 474 | 61% helix, 1% strand | P15723 |
| G, H, I, J, K, L | Inhibitor of dgtpase | protein | 84 | 40% helix, 32% strand | P03780 |
Ligands and binding sites
- DGT · 2'-deoxyguanosine-5'-triphosphate · ligand · 6 copies · chains A, G, H, B, I, C, J, D, K, E, L, F
- MG · Magnesium ion · metal · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1071 | 0.85 | 0.86 | 99 | DGT |
| 2 | 763 | 0.85 | 0.88 | 76 | DGT |
| 3 | 1084 | 0.85 | 0.86 | 104 | DGT, MG |
| 4 | 1170 | 0.85 | 0.86 | 101 | DGT, MG |
| 5 | 1105 | 0.85 | 0.86 | 98 | MG, DGT |
Interfaces
21 interfaces between chains.
- A–B · 1797 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 1793 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1792 Ų buried · 16 hydrogen bonds · protein-protein
- J–D · 736 Ų buried · 6 hydrogen bonds · protein-protein
- I–C · 735 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7U66 · Structure of E. coli dGTPase bound to T7 bacteriophage protein Gp1.2 and dGTP · the same entry in another collection · chain F against F, 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 P15723
- Every structure of UniProt P03780
- Elsewhere: RCSB PDB 7U66 · PDBe 7U66 · UniProt P15723 · UniProt P03780
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