MolNFT v1 · #96678 · protein
X-ray crystal structure of a 4-hydroxythreonine-4-phosphate dehydrogenase from burkholderia phymatum
4JQP: “X-ray crystal structure of a 4-hydroxythreonine-4-phosphate dehydrogenase from burkholderia phymatum”. X-ray diffraction, 3 ligands (ZN, MG, CA), 2 pockets (best druggability 0.64). MolNFT v1 #96678 on GenesisL1: 3D structure…
- PDB
- 4JQP
- Type
- protein
- Length
- 660 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
- B2JVC5
- Ligands
- ZN, MG, CA
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 4-hydroxythreonine-4-phosphate dehydrogenase (EC 1.1.1.262) | protein | 330 | 42% helix, 19% strand | B2JVC5 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CA · Calcium ion · metal · 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
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 487 | 0.64 | 0.77 | 65 | CA |
| 2 | 425 | 0.61 | 0.76 | 61 | ZN, CA |
Interfaces
1 interface between chains.
- A–B · 1564 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4JQP · X-ray crystal structure of a 4-hydroxythreonine-4-phosphate dehydrogenase from… · the same entry in another collection · 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 B2JVC5
- Elsewhere: RCSB PDB 4JQP · PDBe 4JQP · UniProt B2JVC5
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