Research workbench
Crystal structure of hypothetical protein TTHA0547
Analyse Crystal structure of hypothetical protein TTHA0547 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Z0R
- Type
- protein
- Length
- 1,181 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein TTHA0547
- UniProt
- Q5SKU6
- Ligands
- CL, SO4
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, H, J | Putative uncharacterized protein TTHA0547 | protein | 97 | 31% helix, 30% strand | Q5SKU6 |
| B, L | Putative uncharacterized protein TTHA0547 | protein | 100 | 32% helix, 30% strand | Q5SKU6 |
| C, E, G | Putative uncharacterized protein TTHA0547 | protein | 98 | 32% helix, 30% strand | Q5SKU6 |
| F | Putative uncharacterized protein TTHA0547 | protein | 99 | 33% helix, 30% strand | Q5SKU6 |
| I | Putative uncharacterized protein TTHA0547 | protein | 101 | 29% helix, 30% strand | Q5SKU6 |
| K | Putative uncharacterized protein TTHA0547 | protein | 99 | 30% helix, 28% strand | Q5SKU6 |
Ligands and binding sites
- CL · Chloride ion · ion · 11 copies · chains A, F, C, E, I, K, G, B, D
- SO4 · Sulfate ion · ion · 8 copies · chains A, F, E, I, G, D, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.81 | 0.97 | 28 | empty |
| 2 | 139 | 0.81 | 0.97 | 26 | empty |
| 3 | 157 | 0.81 | 0.96 | 35 | empty |
| 4 | 142 | 0.80 | 0.96 | 26 | empty |
| 5 | 146 | 0.80 | 0.96 | 32 | empty |
Interfaces
25 interfaces between chains.
- G–H · 1048 Ų buried · 16 hydrogen bonds · protein-protein
- K–L · 1045 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1016 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1011 Ų buried · 19 hydrogen bonds · protein-protein
- I–J · 970 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 modified (engineered).
Compared structures
- 2Z0R · Crystal structure of hypothetical protein TTHA0547 · 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 Q5SKU6
- Elsewhere: RCSB PDB 2Z0R · PDBe 2Z0R · UniProt Q5SKU6
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