Research workbench
Open state of galactitol-1-phosphate 5-dehydrogenase from E. COLI, with zinc in the catalytic site.
Analyse Open state of galactitol-1-phosphate 5-dehydrogenase from E. COLI, with zinc in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UEO
- Type
- protein
- Length
- 692 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galactitol-1-phosphate 5-dehydrogenase
- EC
- 1.1.1.251
- UniProt
- P0A9S3
- Ligands
- ZN
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Galactitol-1-phosphate 5-dehydrogenase (EC 1.1.1.251) | protein | 346 | 32% helix, 26% strand | P0A9S3 |
Ligands and binding sites
- ZN · Zinc ion · metal · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.78 | 0.98 | 19 | empty |
| 2 | 965 | 0.76 | 0.78 | 81 | ZN |
| 3 | 249 | 0.75 | 0.88 | 32 | empty |
| 4 | 890 | 0.73 | 0.77 | 80 | ZN |
| 5 | 349 | 0.55 | 0.75 | 53 | empty |
Interfaces
1 interface between chains.
- A–B · 1787 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 4UEO · Open state of galactitol-1-phosphate 5-dehydrogenase from E. coli, with zinc in the… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A9S3 · AlphaFold monomer V2.0 prediction for galactitol 1-phosphate 5-dehydrogenase (P0A9S3) · 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 P0A9S3
- Elsewhere: RCSB PDB 4UEO · PDBe 4UEO · UniProt P0A9S3
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