MolNFT v1 · #136656 · protein
Crystal structure of putative short-chain DEHYDROGENASE/REDUCTASE from burkholderia multivorans with bound NADP
5UZX · Putative short-chain alcohol dehydrogenase: “Crystal structure of putative short-chain DEHYDROGENASE/REDUCTASE from burkholderia multivorans with bound…”. X-ray diffraction, 3 ligands (NAP, CL, SO4), 3 pockets (best druggability…
- PDB
- 5UZX
- Type
- protein
- Length
- 462 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative short-chain alcohol dehydrogenase
- UniProt
- A0A0H3KNM5
- Ligands
- NAP, CL, SO4
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative short-chain alcohol dehydrogenase | protein | 231 | 42% helix, 17% strand | A0A0H3KNM5 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 11 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 460 | 0.73 | 0.83 | 49 | NAP, CL, EDO |
| 2 | 434 | 0.71 | 0.82 | 46 | NAP, CL, EDO |
| 3 | 244 | 0.53 | 0.76 | 37 | EDO |
Interfaces
1 interface between chains.
- A–B · 518 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5UZX · Crystal Structure of Putative short-chain dehydrogenase/reductase from Burkholderia… · 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 A0A0H3KNM5
- Elsewhere: RCSB PDB 5UZX · PDBe 5UZX · UniProt A0A0H3KNM5
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