Research workbench
Crystal structure of an aminotransferase from escherichia COLI at 2. 11 angstroem resolution
Analyse Crystal structure of an aminotransferase from escherichia COLI at 2. 11… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CVQ
- Type
- protein
- Length
- 808 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate-pyruvate aminotransferase alaa
- EC
- 2.6.1.2
- UniProt
- P0A960
- Ligands
- PLP
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate-pyruvate aminotransferase alaa (EC 2.6.1.2) | protein | 404 | 43% helix, 16% strand | P0A960 |
| B | Glutamate-pyruvate aminotransferase alaa (EC 2.6.1.2) | protein | 404 | 41% helix, 16% strand | P0A960 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.84 | 0.98 | 19 | empty |
| 2 | 437 | 0.64 | 0.77 | 45 | empty |
| 3 | 421 | 0.63 | 0.77 | 40 | empty |
| 4 | 73 | 0.45 | 0.82 | 18 | GOL |
| 5 | 54 | 0.38 | 0.80 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 3121 Ų buried · 47 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 4CVQ · Crystal structure of an aminotransferase from escherichia COLI at 2. 11 angstroem… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A960 · AlphaFold monomer V2.0 prediction for glutamate-pyruvate aminotransferase alaa (P0A960) · a predicted model of the same protein · chain B 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 P0A960
- Elsewhere: RCSB PDB 4CVQ · PDBe 4CVQ · UniProt P0A960
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