MolNFT v1 · #22269 · protein
Structure of thua-like protein from bacillus stearothermophilus
1T0B: “Structure of thua-like protein from bacillus stearothermophilus”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.85). MolNFT v1 #22269 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1T0B
- Type
- protein
- Length
- 1,924 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thua-like protein
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Thua-like protein | protein | 240 | 32% helix, 30% strand | — |
| F, H | Thua-like protein | protein | 241 | 32% helix, 30% strand | — |
| G | Thua-like protein | protein | 242 | 32% helix, 30% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 896 | 0.85 | 0.87 | 123 | empty |
| 2 | 1055 | 0.85 | 0.86 | 124 | empty |
| 3 | 99 | 0.69 | 0.92 | 24 | empty |
| 4 | 297 | 0.54 | 0.75 | 42 | empty |
| 5 | 251 | 0.53 | 0.76 | 44 | empty |
Interfaces
12 interfaces between chains.
- F–G · 1786 Ų buried · 26 hydrogen bonds · protein-protein
- E–H · 1703 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1619 Ų buried · 23 hydrogen bonds · protein-protein
- A–D · 1619 Ų buried · 23 hydrogen bonds · protein-protein
- E–G · 932 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 1T0B · Structure of ThuA-like protein from Bacillus stearothermophilus · 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
- Elsewhere: RCSB PDB 1T0B · PDBe 1T0B
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