MolNFT v1 · #99180 · protein
Crystal structure of a putative short chain dehydrogenase from burkholderia thailandensis
4LVU · Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family: “Crystal structure of a putative short chain dehydrogenase from burkholderia thailandensis”. X-ray diffraction, 8 pockets (best druggability 0.67). MolNFT v1 #99180 on…
- PDB
- 4LVU
- Type
- protein
- Length
- 504 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family
- EC
- 1.-.-.-
- UniProt
- Q2SZC0
- Pockets
- 8 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family (EC 1.-.-.-) | protein | 252 | 49% helix, 16% strand | Q2SZC0 |
| B | Oxidoreductase, short chain DEHYDROGENASE/REDUCTASE family (EC 1.-.-.-) | protein | 252 | 48% helix, 16% strand | Q2SZC0 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 459 | 0.67 | 0.79 | 40 | empty |
| 2 | 405 | 0.65 | 0.79 | 39 | empty |
| 3 | 161 | 0.47 | 0.77 | 32 | empty |
| 4 | 65 | 0.35 | 0.77 | 15 | empty |
| 5 | 67 | 0.30 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1765 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 4LVU · Crystal Structure of a Putative Short Chain Dehydrogenase from Burkholderia thailandensis · 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 Q2SZC0
- Elsewhere: RCSB PDB 4LVU · PDBe 4LVU · UniProt Q2SZC0
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