MolNFT v1 · #113295 · protein
Crystal structure of trypanosoma brucei SCP2-thiolase like protein (tbslp) in complex with acetoacetyl-CoA.
5AB6: “Crystal structure of trypanosoma brucei SCP2-thiolase like protein (tbslp) in complex with acetoacetyl-CoA.”. X-ray diffraction, 2 ligands (CAA, SO4), 20 pockets (best druggability 0.84). MolNFT v1 #113295 on GenesisL1: 3D…
- PDB
- 5AB6
- Type
- protein
- Length
- 2,368 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SCP2-thiolase like protein
- UniProt
- C9ZUV7
- Ligands
- CAA, SO4
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 5 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | SCP2-thiolase like protein | protein | 394 | 42% helix, 19% strand | C9ZUV7 |
| B | SCP2-thiolase like protein | protein | 393 | 42% helix, 19% strand | C9ZUV7 |
| D | SCP2-thiolase like protein | protein | 396 | 43% helix, 19% strand | C9ZUV7 |
| E | SCP2-thiolase like protein | protein | 395 | 42% helix, 19% strand | C9ZUV7 |
| F | SCP2-thiolase like protein | protein | 396 | 42% helix, 19% strand | C9ZUV7 |
Ligands and binding sites
- CAA · Acetoacetyl-coenzyme A · ligand · 6 copies · chains A, B, C, D, E, F
- SO4 · Sulfate ion · ion · 11 copies · chains A, B, F, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 849 | 0.84 | 0.86 | 93 | SO4 |
| 2 | 927 | 0.82 | 0.84 | 96 | empty |
| 3 | 455 | 0.77 | 0.85 | 36 | empty |
| 4 | 418 | 0.76 | 0.86 | 36 | empty |
| 5 | 447 | 0.76 | 0.85 | 36 | empty |
Interfaces
5 interfaces between chains.
- E–F · 2063 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 2038 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 2036 Ų buried · 25 hydrogen bonds · protein-protein
- B–F · 1096 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 967 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5AB6 · 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 5AB6 · PDBe 5AB6 · UniProt C9ZUV7
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