Research workbench
Crystal structure of a putative short-chain alcohol dehydrogenase from burkholderia multivorans
Analyse Crystal structure of a putative short-chain alcohol dehydrogenase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TT1
- Type
- protein
- Length
- 658 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative short-chain alcohol dehydrogenase
- UniProt
- A0A0H3KNM5
- Ligands
- SO4, NO3
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative short-chain alcohol dehydrogenase | protein | 217 | 43% helix, 18% strand | A0A0H3KNM5 |
| B | Putative short-chain alcohol dehydrogenase | protein | 220 | 43% helix, 17% strand | A0A0H3KNM5 |
| C | Putative short-chain alcohol dehydrogenase | protein | 221 | 42% helix, 17% strand | A0A0H3KNM5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, C
- NO3 · Nitrate ion · ion · 4 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 2 copies · chains C
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 | 682 | 0.71 | 0.78 | 56 | empty |
| 2 | 711 | 0.68 | 0.76 | 60 | SO4 |
| 3 | 305 | 0.58 | 0.77 | 37 | SO4, EDO |
Interfaces
3 interfaces between chains.
- B–C · 1666 Ų buried · 39 hydrogen bonds · protein-protein
- A–B · 438 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 31 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5TT1 · Crystal Structure of a Putative short-chain alcohol dehydrogenase 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 5TT1 · PDBe 5TT1 · UniProt A0A0H3KNM5
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