MolNFT v1 · #185982 · protein
Se-met derivative structure of a small alarmone hydrolase (relh) from corynebacterium glutamicum
7QOC · Guanosine polyphosphate PYROPHOSPHOHYDROLASES/SYNTHETASES: “Se-met derivative structure of a small alarmone hydrolase (relh) from corynebacterium glutamicum”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.77).…
- PDB
- 7QOC
- Type
- protein
- Length
- 380 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanosine polyphosphate PYROPHOSPHOHYDROLASES/SYNTHETASES
- EC
- 3.1.7.2
- UniProt
- Q8NQV9
- Ligands
- MG
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanosine polyphosphate PYROPHOSPHOHYDROLASES/SYNTHETASES (EC 3.1.7.2) | protein | 193 | 73% helix, 1% strand | Q8NQV9 |
| B | Guanosine polyphosphate PYROPHOSPHOHYDROLASES/SYNTHETASES (EC 3.1.7.2) | protein | 187 | 71% helix, 1% strand | Q8NQV9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 551 | 0.77 | 0.84 | 50 | empty |
| 2 | 615 | 0.74 | 0.81 | 49 | empty |
| 3 | 58 | 0.30 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1240 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 7QOC · Se-Met derivative structure of a small alarmone hydrolase (RelH) from Corynebacterium… · 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 Q8NQV9
- Elsewhere: RCSB PDB 7QOC · PDBe 7QOC · UniProt Q8NQV9
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