MolNFT v1 · #108781 · protein
X-ray crystal structure of an amino acid aminotransferase from burkholderia pseudomallei bound to the co-factor pyridoxal phosphate
4WHX · Branched-chain-amino-acid transaminase: “X-ray crystal structure of an amino acid aminotransferase from burkholderia pseudomallei bound to the…”. X-ray diffraction, 1 ligand (ALA), 19 pockets (best druggability 0.82). MolNFT v1…
- PDB
- 4WHX
- Type
- protein
- Length
- 1,836 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Branched-chain-amino-acid transaminase
- EC
- 2.6.1.42
- UniProt
- B7CIR9
- Ligands
- ALA
- Pockets
- 19 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Branched-chain-amino-acid transaminase (EC 2.6.1.42) | protein | 306 | 30% helix, 29% strand | B7CIR9 |
Ligands and binding sites
- ALA · Alanine · ligand · 4 copies · chains A, C, D, E
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1076 | 0.82 | 0.84 | 99 | empty |
| 2 | 1192 | 0.81 | 0.83 | 100 | empty |
| 3 | 191 | 0.75 | 0.91 | 18 | empty |
| 4 | 71 | 0.74 | 0.98 | 19 | ALA |
| 5 | 67 | 0.74 | 0.98 | 18 | ALA |
Interfaces
12 interfaces between chains.
- D–E · 2681 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 2592 Ų buried · 34 hydrogen bonds · protein-protein
- C–F · 2554 Ų buried · 34 hydrogen bonds · protein-protein
- E–F · 893 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 890 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (cofactor).
Compared structures
- 4WHX · X-ray Crystal Structure of an Amino Acid Aminotransferase from Burkholderia pseudomallei… · the same entry in another collection · chain C against C, 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 B7CIR9
- Elsewhere: RCSB PDB 4WHX · PDBe 4WHX · UniProt B7CIR9
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