Research workbench
Crystal structure of a putative short-chain dehydrogenase or 3- oxoacyl-[acyl-carrier-protein] reductase from mycobacterium paratuberculosis atcc baa-968 / K-10
Analyse Crystal structure of a putative short-chain dehydrogenase or 3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QIV
- Type
- protein
- Length
- 394 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier- protein] reductase
- UniProt
- Q743I2
- Pockets
- 4 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier- protein] reductase | protein | 199 | 51% helix, 19% strand | Q743I2 |
| B | Short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier- protein] reductase | protein | 195 | 50% helix, 19% strand | Q743I2 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 134 | 0.52 | 0.81 | 33 | empty |
| 2 | 56 | 0.41 | 0.82 | 21 | empty |
| 3 | 58 | 0.32 | 0.77 | 14 | empty |
| 4 | 51 | 0.30 | 0.76 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 620 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3QIV · Crystal structure of a putative short-chain dehydrogenase or… · 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 Q743I2
- Elsewhere: RCSB PDB 3QIV · PDBe 3QIV · UniProt Q743I2
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