MolNFT v1 · #18536 · protein
Crystal structure of E.COLI pdxa
1PS6 · 4-hydroxythreonine-4-phosphate dehydrogenase: “Crystal structure of E.COLI pdxa”. X-ray diffraction, 2 ligands (4TP, ZN), 4 pockets (best druggability 0.70). MolNFT v1 #18536 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1PS6
- Type
- protein
- Length
- 656 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-hydroxythreonine-4-phosphate dehydrogenase
- EC
- 1.1.1.262
- UniProt
- P19624
- Ligands
- 4TP, ZN
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 4-hydroxythreonine-4-phosphate dehydrogenase (EC 1.1.1.262) | protein | 328 | 40% helix, 18% strand | P19624 |
Ligands and binding sites
- 4TP · 4-hydroxy-L-threonine-5-monophosphate · ligand · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 484 | 0.70 | 0.80 | 45 | 4TP |
| 2 | 398 | 0.59 | 0.76 | 48 | ZN |
| 3 | 66 | 0.34 | 0.76 | 16 | empty |
| 4 | 59 | 0.33 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1559 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
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 P19624
- Elsewhere: RCSB PDB 1PS6 · PDBe 1PS6 · UniProt P19624
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