Research workbench
Crystal structure of a 3-ketoacyl-acp reductase from sinorhizobium meliloti 1021
Analyse Crystal structure of a 3-ketoacyl-acp reductase from sinorhizobium meliloti 1021 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3V8B
- Type
- protein
- Length
- 1,025 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative dehydrogenase, possibly 3-oxoacyl-[acyl-carrier protein] reductase
- EC
- 1.1.1.100
- UniProt
- Q92U42
- Pockets
- 15 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative dehydrogenase, possibly 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 257 | 44% helix, 18% strand | Q92U42 |
| C | Putative dehydrogenase, possibly 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 255 | 46% helix, 17% strand | Q92U42 |
| D | Putative dehydrogenase, possibly 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 256 | 41% helix, 18% strand | Q92U42 |
Pockets
15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 933 | 0.87 | 0.89 | 58 | empty |
| 2 | 387 | 0.68 | 0.81 | 45 | empty |
| 3 | 425 | 0.68 | 0.80 | 43 | empty |
| 4 | 397 | 0.68 | 0.81 | 44 | empty |
| 5 | 376 | 0.66 | 0.80 | 41 | empty |
Interfaces
6 interfaces between chains.
- A–D · 1982 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 1974 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1652 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1627 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 601 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3V8B · Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021 · 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 Q92U42
- Elsewhere: RCSB PDB 3V8B · PDBe 3V8B · UniProt Q92U42
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