MolNFT v1 · #155971 · protein
Crystal structure of ACETATE:SUCCINATE CoA transferase (asct) from trypanosoma brucei.
6LP1 · Succinyl-COA:3-ketoacid-coenzyme a transferase: “Crystal structure of ACETATE:SUCCINATE CoA transferase (asct) from trypanosoma brucei.”. X-ray diffraction, 1 ligand (CA), 20 pockets (best druggability 0.82). MolNFT v1 #155971 on…
- PDB
- 6LP1
- Type
- protein
- Length
- 1,869 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Succinyl-COA:3-ketoacid-coenzyme a transferase
- EC
- 2.8.3.5
- UniProt
- D0A680
- Ligands
- CA
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 22% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Succinyl-COA:3-ketoacid-coenzyme a transferase (EC 2.8.3.5) | protein | 467 | 21% helix, 30% strand | D0A680 |
| B | Succinyl-COA:3-ketoacid-coenzyme a transferase (EC 2.8.3.5) | protein | 467 | 22% helix, 30% strand | D0A680 |
| C | Succinyl-COA:3-ketoacid-coenzyme a transferase (EC 2.8.3.5) | protein | 469 | 22% helix, 29% strand | D0A680 |
| D | Succinyl-COA:3-ketoacid-coenzyme a transferase (EC 2.8.3.5) | protein | 466 | 23% helix, 30% strand | D0A680 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 2 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 191 | 0.82 | 0.97 | 32 | empty |
| 2 | 191 | 0.82 | 0.96 | 32 | empty |
| 3 | 1012 | 0.76 | 0.78 | 113 | empty |
| 4 | 1014 | 0.74 | 0.77 | 84 | empty |
| 5 | 553 | 0.72 | 0.81 | 75 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2391 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 2367 Ų buried · 34 hydrogen bonds · protein-protein
- B–C · 685 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 596 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 76 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6LP1 · Crystal structure of acetate:succinate CoA transferase (ASCT) from Trypanosoma brucei. · 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 D0A680
- Elsewhere: RCSB PDB 6LP1 · PDBe 6LP1 · UniProt D0A680
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