Research workbench
Crystal structure of trypanosoma brucei SCP2-thiolase like protein (tbslp) in complex with malonyl-CoA.
Analyse Crystal structure of trypanosoma brucei SCP2-thiolase like protein (tbslp) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5AB7
- Type
- protein
- Length
- 2,356 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SCP2-thiolase like protein
- UniProt
- C9ZUV7
- Ligands
- MLC, SO4
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 5 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | SCP2-thiolase like protein | protein | 392 | 42% helix, 19% strand | C9ZUV7 |
| B | SCP2-thiolase like protein | protein | 392 | 42% helix, 19% strand | C9ZUV7 |
| C | SCP2-thiolase like protein | protein | 393 | 42% helix, 19% strand | C9ZUV7 |
| D | SCP2-thiolase like protein | protein | 396 | 42% helix, 19% strand | C9ZUV7 |
| F | SCP2-thiolase like protein | protein | 391 | 41% helix, 19% strand | C9ZUV7 |
Ligands and binding sites
- MLC · Malonyl-coenzyme A · ligand · 6 copies · chains A, B, C, D, E, F
- SO4 · Sulfate ion · ion · 14 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1040 | 0.82 | 0.83 | 128 | empty |
| 2 | 1193 | 0.80 | 0.82 | 102 | empty |
| 3 | 428 | 0.75 | 0.85 | 36 | empty |
| 4 | 422 | 0.75 | 0.85 | 41 | empty |
| 5 | 448 | 0.75 | 0.84 | 41 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2001 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 1922 Ų buried · 28 hydrogen bonds · protein-protein
- E–F · 1896 Ų buried · 26 hydrogen bonds · protein-protein
- A–F · 983 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 768 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5AB7 · Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) in complex… · 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 C9ZUV7
- Elsewhere: RCSB PDB 5AB7 · PDBe 5AB7 · UniProt C9ZUV7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.