MolNFT v1 · #60387 · protein
Histidinol-phosphate aminotransferase from corynebacterium glutamicum holo-form (plp covalently bound )
3CQ6: “Histidinol-phosphate aminotransferase from corynebacterium glutamicum holo-form (plp covalently bound )”. X-ray diffraction, 1 ligand (PO4), 14 pockets (best druggability 0.71). MolNFT v1 #60387 on GenesisL1: 3D structure, binding…
- PDB
- 3CQ6
- Type
- protein
- Length
- 1,092 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidinol-phosphate aminotransferase
- EC
- 2.6.1.9
- UniProt
- Q9KJU4
- Ligands
- PO4
- Pockets
- 14 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E | Histidinol-phosphate aminotransferase (EC 2.6.1.9) | protein | 364 | 45% helix, 15% strand | Q9KJU4 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 7 copies · chains A, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.71 | 0.87 | 46 | PO4 |
| 2 | 172 | 0.69 | 0.88 | 28 | empty |
| 3 | 58 | 0.63 | 0.93 | 24 | PO4 |
| 4 | 306 | 0.59 | 0.78 | 36 | empty |
| 5 | 184 | 0.53 | 0.79 | 30 | PO4 |
Interfaces
2 interfaces between chains.
- A–C · 3790 Ų buried · 43 hydrogen bonds · protein-protein
- A–E · 549 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (cofactor).
Compared structures
- 3CQ6 · Histidinol-phosphate aminotransferase from Corynebacterium glutamicum holo-form (PLP… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9KJU4 · AlphaFold monomer V2.0 prediction for histidinol-phosphate aminotransferase (Q9KJU4) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9KJU4
- Elsewhere: RCSB PDB 3CQ6 · PDBe 3CQ6 · UniProt Q9KJU4
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