MolNFT v1 · #58284 · protein
TTHB071 protein from thermus thermophilus HB8
3AYT · Putative uncharacterized protein TTHB071: “TTHB071 protein from thermus thermophilus HB8”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.85). MolNFT v1 #58284 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3AYT
- Type
- protein
- Length
- 961 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein TTHB071
- UniProt
- Q53W91
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Putative uncharacterized protein TTHB071 | protein | 240 | 45% helix, 17% strand | Q53W91 |
| C | Putative uncharacterized protein TTHB071 | protein | 241 | 44% helix, 17% strand | Q53W91 |
Ligands and binding sites
- ZN · Zinc ion · metal · 12 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1060 | 0.85 | 0.86 | 120 | ZN |
| 2 | 996 | 0.84 | 0.85 | 107 | ZN |
| 3 | 310 | 0.60 | 0.78 | 37 | empty |
| 4 | 148 | 0.46 | 0.77 | 23 | empty |
| 5 | 51 | 0.31 | 0.76 | 12 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1244 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 1230 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 385 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 227 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 164 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3AYT · TTHB071 protein from Thermus thermophilus HB8 · 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 Q53W91
- Elsewhere: RCSB PDB 3AYT · PDBe 3AYT · UniProt Q53W91
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