MolNFT v1 · #82229 · protein
Crystal structure of hypothetical protein TTHB210 from thermus thermophilus HB8
3VG8: “Crystal structure of hypothetical protein TTHB210 from thermus thermophilus HB8”. X-ray diffraction, 20 pockets (best druggability 0.72). MolNFT v1 #82229 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3VG8
- Type
- protein
- Length
- 1,104 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein TTHB210
- UniProt
- Q53VW9
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 8 distinct chains · 21% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G | Hypothetical protein TTHB210 | protein | 106 | 21% helix, 35% strand | Q53VW9 |
| H | Hypothetical protein TTHB210 | protein | 112 | 19% helix, 35% strand | Q53VW9 |
| I, E | Hypothetical protein TTHB210 | protein | 109 | 20% helix, 34% strand | Q53VW9 |
| J, F | Hypothetical protein TTHB210 | protein | 115 | 26% helix, 33% strand | Q53VW9 |
| A | Hypothetical protein TTHB210 | protein | 105 | 20% helix, 34% strand | Q53VW9 |
| B | Hypothetical protein TTHB210 | protein | 116 | 26% helix, 34% strand | Q53VW9 |
| C | Hypothetical protein TTHB210 | protein | 109 | 19% helix, 34% strand | Q53VW9 |
| D | Hypothetical protein TTHB210 | protein | 108 | 19% helix, 36% strand | Q53VW9 |
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 316 | 0.72 | 0.85 | 51 | empty |
| 2 | 298 | 0.71 | 0.84 | 31 | empty |
| 3 | 265 | 0.70 | 0.85 | 33 | empty |
| 4 | 338 | 0.69 | 0.82 | 37 | empty |
| 5 | 264 | 0.57 | 0.77 | 28 | empty |
Interfaces
15 interfaces between chains.
- A–B · 1509 Ų buried · 27 hydrogen bonds · protein-protein
- E–F · 1473 Ų buried · 29 hydrogen bonds · protein-protein
- G–H · 1433 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 1400 Ų buried · 27 hydrogen bonds · protein-protein
- I–J · 1393 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 modified (engineered).
Compared structures
- 3VG8 · Crystal structure of hypothetical protein TTHB210 from Thermus thermophilus HB8 · the same entry in another collection · chain G against G, 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 Q53VW9
- Elsewhere: RCSB PDB 3VG8 · PDBe 3VG8 · UniProt Q53VW9
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