MolNFT v1 · #184205 · protein
Structure of thermus thermophilus rel bound to the non-hydrolasable alarmone analogue
7OHG · Guanosine-3',5'-BIS(DIPHOSPHATE) 3'-pyrophosphohydrolase: “Structure of thermus thermophilus rel bound to the non-hydrolasable alarmone analogue”. X-ray diffraction, 4 ligands (VE8, MN, MG), 5 pockets (best druggability 0.58).…
- PDB
- 7OHG
- Type
- protein
- Length
- 351 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanosine-3',5'-BIS(DIPHOSPHATE) 3'-pyrophosphohydrolase
- UniProt
- A0A510IKK7
- Ligands
- VE8, MN, MG, CL
- Pockets
- 5 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanosine-3',5'-BIS(DIPHOSPHATE) 3'-pyrophosphohydrolase | protein | 351 | 62% helix, 11% strand | A0A510IKK7 |
Ligands and binding sites
- VE8 · Non-hydrolasable alarmone analogue · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 5 copies · chains A
- GOL · Glycerol · additive · chains A
- FMT · Formic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 353 | 0.58 | 0.76 | 41 | VE8, GOL, FMT, MN |
| 2 | 294 | 0.56 | 0.76 | 34 | CL |
| 3 | 109 | 0.39 | 0.75 | 17 | empty |
| 4 | 56 | 0.36 | 0.78 | 12 | empty |
| 5 | 84 | 0.30 | 0.72 | 15 | empty |
Compared structures
- 7OHG · Structure of Thermus thermophilus Rel bound to the non-hydrolasable alarmone analogue · 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 A0A510IKK7
- Elsewhere: RCSB PDB 7OHG · PDBe 7OHG · UniProt A0A510IKK7
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