Research workbench
TTHB071 protein from thermus thermophilus HB8 soaking with ZNCL2
Analyse TTHB071 protein from thermus thermophilus HB8 soaking with ZNCL2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AYV
- Type
- protein
- Length
- 969 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
- 6 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Putative uncharacterized protein TTHB071 | protein | 241 | 45% helix, 17% strand | Q53W91 |
| B | Putative uncharacterized protein TTHB071 | protein | 243 | 44% helix, 16% strand | Q53W91 |
| D | Putative uncharacterized protein TTHB071 | protein | 244 | 45% helix, 16% 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
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 961 | 0.86 | 0.87 | 107 | empty |
| 2 | 1131 | 0.83 | 0.84 | 106 | ZN |
| 3 | 135 | 0.57 | 0.83 | 26 | empty |
| 4 | 135 | 0.45 | 0.77 | 23 | empty |
| 5 | 63 | 0.28 | 0.74 | 17 | empty |
Interfaces
5 interfaces between chains.
- A–D · 1251 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1234 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 346 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 189 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 150 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3AYV · TTHB071 protein from Thermus thermophilus HB8 soaking with ZnCl2 · 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 3AYV · PDBe 3AYV · UniProt Q53W91
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