MolNFT v1 · #60386 · protein
Histidinol-phosphate aminotransferase from corynebacterium glutamicum in complex with pmp
3CQ5: “Histidinol-phosphate aminotransferase from corynebacterium glutamicum in complex with pmp”. X-ray diffraction, 2 ligands (PMP, SO4), 11 pockets (best druggability 0.73). MolNFT v1 #60386 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3CQ5
- Type
- protein
- Length
- 1,094 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
- PMP, SO4
- Pockets
- 11 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Histidinol-phosphate aminotransferase (EC 2.6.1.9) | protein | 364 | 44% helix, 15% strand | Q9KJU4 |
| B | Histidinol-phosphate aminotransferase (EC 2.6.1.9) | protein | 366 | 44% helix, 14% strand | Q9KJU4 |
Ligands and binding sites
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C
- 144 · Tris-hydroxymethyl-methyl-ammonium · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.73 | 0.90 | 36 | 144, PMP, SO4 |
| 2 | 184 | 0.72 | 0.89 | 36 | 144, PMP, SO4 |
| 3 | 149 | 0.71 | 0.91 | 35 | empty |
| 4 | 473 | 0.67 | 0.79 | 58 | empty |
| 5 | 110 | 0.64 | 0.88 | 23 | empty |
Interfaces
2 interfaces between chains.
- A–B · 3822 Ų buried · 47 hydrogen bonds · protein-protein
- B–C · 558 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3CQ5 · Histidinol-phosphate aminotransferase from Corynebacterium glutamicum in complex with PMP · 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 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 Q9KJU4
- Elsewhere: RCSB PDB 3CQ5 · PDBe 3CQ5 · UniProt Q9KJU4
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