MolNFT v1 · #24402 · protein
Histidinol-phosphate aminotransferase (hisc) from thermotoga maritima (apo-form)
1UU2: “Histidinol-phosphate aminotransferase (hisc) from thermotoga maritima (apo-form)”. X-ray diffraction, 1 ligand (PMP), 6 pockets (best druggability 0.72). MolNFT v1 #24402 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1UU2
- Type
- protein
- Length
- 639 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidinol-phosphate aminotransferase
- EC
- 2.6.1.9
- UniProt
- Q9X0D0
- Ligands
- PMP
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histidinol-phosphate aminotransferase (EC 2.6.1.9) | protein | 321 | 38% helix, 16% strand | Q9X0D0 |
| B | Histidinol-phosphate aminotransferase (EC 2.6.1.9) | protein | 318 | 38% helix, 15% strand | Q9X0D0 |
Ligands and binding sites
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains 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 | 521 | 0.72 | 0.81 | 56 | PMP |
| 2 | 311 | 0.63 | 0.80 | 45 | PMP |
| 3 | 77 | 0.52 | 0.85 | 20 | empty |
| 4 | 81 | 0.41 | 0.79 | 19 | empty |
| 5 | 93 | 0.40 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2217 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 1UU2 · Histidinol-phosphate aminotransferase (HisC) from Thermotoga maritima (apo-form) · the same entry in another collection · chain A against A, TM-score 1.00
- Q9X0D0 · AlphaFold monomer V2.0 prediction for histidinol-phosphate aminotransferase (Q9X0D0) · a predicted model of the same protein · chain B 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 Q9X0D0
- Elsewhere: RCSB PDB 1UU2 · PDBe 1UU2 · UniProt Q9X0D0
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