MolNFT v1 · #64107 · protein
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from burkholderia pseudomallei at 2.05 a resolution
3FTP · 3-oxoacyl-[acyl-carrier protein] reductase: “Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from burkholderia pseudomallei at 2.05 a…”. X-ray diffraction, 9 pockets (best druggability 0.84). MolNFT v1 #64107 on…
- PDB
- 3FTP
- Type
- protein
- Length
- 981 residues
- Chains
- 4
- 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
- Q63S85
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 248 | 51% helix, 16% strand | Q63S85 |
| C | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 244 | 50% helix, 15% strand | Q63S85 |
| D | 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) | protein | 241 | 51% helix, 15% strand | Q63S85 |
Pockets
9 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 421 | 0.84 | 0.92 | 58 | empty |
| 2 | 303 | 0.64 | 0.80 | 27 | empty |
| 3 | 311 | 0.64 | 0.80 | 35 | empty |
| 4 | 411 | 0.62 | 0.77 | 44 | empty |
| 5 | 397 | 0.61 | 0.76 | 40 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1663 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 1609 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 1546 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 1518 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 100 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3FTP · Crystal structure of 3-Ketoacyl-(acyl-carrier-protein) reductase 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 Q63S85
- Elsewhere: RCSB PDB 3FTP · PDBe 3FTP · UniProt Q63S85
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