MolNFT v1 · #164740 · protein
Crystal structure of salmonella typhimurium fabg at 2.65 a resolution
6T7M · 3-oxoacyl-[acyl-carrier-protein] reductase fabg: “Crystal structure of salmonella typhimurium fabg at 2.65 a resolution”. X-ray diffraction, 10 pockets (best druggability 0.85). MolNFT v1 #164740 on GenesisL1: 3D structure, binding…
- PDB
- 6T7M
- 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 fabg
- EC
- 1.1.1.100
- UniProt
- P0A2C9
- Pockets
- 10 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | 3-oxoacyl-[acyl-carrier-protein] reductase fabg (EC 1.1.1.100) | protein | 244 | 52% helix, 16% strand | P0A2C9 |
| D | 3-oxoacyl-[acyl-carrier-protein] reductase fabg (EC 1.1.1.100) | protein | 249 | 51% helix, 16% strand | P0A2C9 |
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 353 | 0.85 | 0.94 | 44 | empty |
| 2 | 970 | 0.77 | 0.79 | 99 | empty |
| 3 | 709 | 0.68 | 0.76 | 62 | empty |
| 4 | 556 | 0.68 | 0.78 | 50 | empty |
| 5 | 135 | 0.48 | 0.78 | 18 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1715 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1696 Ų buried · 22 hydrogen bonds · protein-protein
- A–D · 1689 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 1598 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 188 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6T7M · Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution · the same entry in another collection · chain D against D, TM-score 1.00
- P0A2C9 · 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 0.99
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 P0A2C9
- Elsewhere: RCSB PDB 6T7M · PDBe 6T7M · UniProt P0A2C9
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