Research workbench
Crystal structure of TT0140 from thermus thermophilus HB8
Analyse Crystal structure of TT0140 from thermus thermophilus HB8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ULS
- Type
- protein
- Length
- 1,948 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative 3-oxoacyl-acyl carrier protein reductase
- EC
- 1.1.1.100
- UniProt
- Q5SK98
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Putative 3-oxoacyl-acyl carrier protein reductase (EC 1.1.1.100) | protein | 242 | 48% helix, 16% strand | Q5SK98 |
| B, D, E, G, H | Putative 3-oxoacyl-acyl carrier protein reductase (EC 1.1.1.100) | protein | 245 | 49% helix, 16% strand | Q5SK98 |
| C | Putative 3-oxoacyl-acyl carrier protein reductase (EC 1.1.1.100) | protein | 239 | 49% helix, 16% strand | Q5SK98 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 642 | 0.84 | 0.88 | 64 | empty |
| 2 | 158 | 0.81 | 0.97 | 30 | empty |
| 3 | 500 | 0.81 | 0.88 | 70 | empty |
| 4 | 153 | 0.80 | 0.97 | 29 | empty |
| 5 | 784 | 0.76 | 0.80 | 69 | empty |
Interfaces
15 interfaces between chains.
- F–G · 1725 Ų buried · 16 hydrogen bonds · protein-protein
- E–H · 1701 Ų buried · 21 hydrogen bonds · protein-protein
- A–D · 1697 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 1691 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1583 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 47 modified (engineered).
Compared structures
- 1ULS · Crystal structure of tt0140 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 Q5SK98
- Elsewhere: RCSB PDB 1ULS · PDBe 1ULS · UniProt Q5SK98
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