MolNFT v1 · #63431 · protein
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase rickettsia prowazekii
3F9I · 3-oxoacyl-[acyl-carrier-protein] reductase: “Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase rickettsia prowazekii”. X-ray diffraction, 3 pockets (best druggability 0.62). MolNFT v1 #63431 on GenesisL1: 3D…
- PDB
- 3F9I
- Type
- protein
- Length
- 449 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] reductase
- EC
- 1.1.1.100
- UniProt
- P50941
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 220 | 49% helix, 18% strand | P50941 |
| B | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 229 | 46% helix, 17% strand | P50941 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.62 | 0.78 | 56 | empty |
| 2 | 73 | 0.36 | 0.77 | 20 | empty |
| 3 | 52 | 0.30 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1741 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3F9I · Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase Rickettsia prowazekii · the same entry in another collection · chain A against A, TM-score 1.00
- P50941 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] reductase fabg… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P50941
- Elsewhere: RCSB PDB 3F9I · PDBe 3F9I · UniProt P50941
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