Research workbench
The X-ray crystal structure of staphylococcus aureus fatty acid kinase B1 (FAKB1) mutant R173A in complex with palmitate to 1.60 ångström resolution
Analyse The X-ray crystal structure of staphylococcus aureus fatty acid kinase B1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7SCL
- Type
- protein
- Length
- 574 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid kinase B1
- UniProt
- Q8NXM4
- Ligands
- PLM
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid kinase B1 | protein | 288 | 38% helix, 24% strand | Q8NXM4 |
| B | Fatty acid kinase B1 | protein | 286 | 40% helix, 24% strand | Q8NXM4 |
Ligands and binding sites
- PLM · Palmitic acid · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 673 | 0.72 | 0.79 | 81 | PLM |
| 2 | 135 | 0.72 | 0.91 | 32 | PLM |
| 3 | 180 | 0.52 | 0.78 | 29 | empty |
| 4 | 151 | 0.46 | 0.77 | 25 | empty |
| 5 | 72 | 0.41 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 353 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7SCL · The X-ray crystal structure of Staphylococcus aureus Fatty Acid Kinase B1 (FakB1) mutant… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NXM4 · AlphaFold monomer V2.0 prediction for degv domain-containing protein MW0711 (Q8NXM4) · 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 Q8NXM4
- Elsewhere: RCSB PDB 7SCL · PDBe 7SCL · UniProt Q8NXM4
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