MolNFT v1 · #24141 · protein
Crystal structure of TT0182 from thermus thermophilus HB8
1ULQ · Putative acetyl-CoA acetyltransferase: “Crystal structure of TT0182 from thermus thermophilus HB8”. X-ray diffraction, 20 pockets (best druggability 0.69). MolNFT v1 #24141 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1ULQ
- Type
- protein
- Length
- 3,189 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative acetyl-CoA acetyltransferase
- UniProt
- Q5SJM1
- Pockets
- 20 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, F | Putative acetyl-CoA acetyltransferase | protein | 398 | 38% helix, 24% strand | Q5SJM1 |
| C, D, E, G, H | Putative acetyl-CoA acetyltransferase | protein | 399 | 38% helix, 24% strand | Q5SJM1 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.69 | 0.82 | 53 | empty |
| 2 | 313 | 0.68 | 0.82 | 45 | empty |
| 3 | 266 | 0.67 | 0.83 | 35 | empty |
| 4 | 304 | 0.66 | 0.81 | 37 | empty |
| 5 | 276 | 0.66 | 0.82 | 35 | empty |
Interfaces
13 interfaces between chains.
- C–D · 3186 Ų buried · 82 hydrogen bonds · protein-protein
- A–B · 3175 Ų buried · 86 hydrogen bonds · protein-protein
- G–H · 3171 Ų buried · 79 hydrogen bonds · protein-protein
- E–F · 3165 Ų buried · 87 hydrogen bonds · protein-protein
- E–H · 919 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1ULQ · Crystal structure of tt0182 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 Q5SJM1
- Elsewhere: RCSB PDB 1ULQ · PDBe 1ULQ · UniProt Q5SJM1
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