Research workbench
2-amino-3-ketobutyrate CoA ligase
Analyse 2-amino-3-ketobutyrate CoA ligase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FC4
- Type
- protein
- Length
- 802 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-amino-3-ketobutyrate conenzyme a ligase
- EC
- 2.3.1.29
- UniProt
- P07912
- Ligands
- AKB, PLP
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-amino-3-ketobutyrate conenzyme a ligase (EC 2.3.1.29) | protein | 401 | 44% helix, 17% strand | P07912 |
Ligands and binding sites
- AKB · 2-amino-3-ketobutyric acid · ligand · 2 copies · chains A, B
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.75 | 0.96 | 42 | AKB, PLP |
| 2 | 86 | 0.73 | 0.96 | 34 | AKB, PLP |
| 3 | 67 | 0.72 | 0.98 | 21 | empty |
| 4 | 194 | 0.49 | 0.76 | 31 | empty |
| 5 | 175 | 0.48 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 5128 Ų buried · 91 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 1FC4 · 2-amino-3-ketobutyrate CoA ligase · 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 P07912
- Elsewhere: RCSB PDB 1FC4 · PDBe 1FC4 · UniProt P07912
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