Research workbench
Crystal structure of msm-13, a putative T1-like thiolase from mycobacterium smegmatis
Analyse Crystal structure of msm-13, a putative T1-like thiolase from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZRC
- Type
- protein
- Length
- 1,579 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-ketothiolase
- UniProt
- A0QUH3
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-ketothiolase | protein | 391 | 37% helix, 23% strand | A0QUH3 |
| B | Beta-ketothiolase | protein | 397 | 39% helix, 21% strand | A0QUH3 |
| C | Beta-ketothiolase | protein | 396 | 39% helix, 22% strand | A0QUH3 |
| D | Beta-ketothiolase | protein | 395 | 39% helix, 22% strand | A0QUH3 |
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.77 | 0.98 | 31 | empty |
| 2 | 90 | 0.76 | 0.98 | 33 | empty |
| 3 | 242 | 0.68 | 0.85 | 42 | empty |
| 4 | 207 | 0.68 | 0.86 | 43 | empty |
| 5 | 232 | 0.58 | 0.79 | 27 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3087 Ų buried · 78 hydrogen bonds · protein-protein
- C–D · 3069 Ų buried · 79 hydrogen bonds · protein-protein
- A–D · 291 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 287 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 278 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4ZRC · Crystal structure of MSM-13, a putative T1-like thiolase from Mycobacterium smegmatis · the same entry in another collection · chain D against D, 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 A0QUH3
- Elsewhere: RCSB PDB 4ZRC · PDBe 4ZRC · UniProt A0QUH3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.