MolNFT v1 · #86826 · protein
Crystal structure of SCP2 thiolase from trypanosoma brucei: the C337A mutant.
4BIA · 3-ketoacyl-CoA thiolase, putative: “Crystal structure of SCP2 thiolase from trypanosoma brucei: the C337A mutant.”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #86826 on GenesisL1: 3D structure, binding sites…
- PDB
- 4BIA
- Type
- protein
- Length
- 1,669 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-ketoacyl-CoA thiolase, putative
- EC
- 2.3.1.16
- UniProt
- Q57XD5
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 28% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-ketoacyl-CoA thiolase, putative (EC 2.3.1.16) | protein | 418 | 28% helix, 15% strand | Q57XD5 |
| B, D | 3-ketoacyl-CoA thiolase, putative (EC 2.3.1.16) | protein | 416 | 28% helix, 15% strand | Q57XD5 |
| C | 3-ketoacyl-CoA thiolase, putative (EC 2.3.1.16) | protein | 419 | 28% helix, 15% strand | Q57XD5 |
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 922 | 0.76 | 0.79 | 97 | empty |
| 2 | 341 | 0.71 | 0.83 | 46 | empty |
| 3 | 333 | 0.70 | 0.83 | 44 | empty |
| 4 | 357 | 0.70 | 0.82 | 50 | empty |
| 5 | 343 | 0.69 | 0.82 | 52 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2341 Ų buried · 49 hydrogen bonds · protein-protein
- C–D · 2331 Ų buried · 43 hydrogen bonds · protein-protein
- B–C · 554 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4BIA · Crystal structure of SCP2 thiolase from Trypanosoma brucei: The C337A mutant. · 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 Q57XD5
- Elsewhere: RCSB PDB 4BIA · PDBe 4BIA · UniProt Q57XD5
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