MolNFT v1 · #156854 · protein
The crystal structure of the staphylococcus aureus fatty acid kinase (fak) B1 protein A121I mutant to 2.02 ångström resolution
6MH9: “The crystal structure of the staphylococcus aureus fatty acid kinase (fak) B1 protein A121I mutant to 2.02…”. X-ray diffraction, 1 ligand (PLM), 9 pockets (best druggability 0.77). MolNFT v1 #156854 on GenesisL1: 3D structure…
- PDB
- 6MH9
- Type
- protein
- Length
- 569 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid kinase (fak) B1 protein
- UniProt
- X5EH37
- Ligands
- PLM
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid kinase (fak) B1 protein | protein | 288 | 42% helix, 25% strand | X5EH37 |
| B | Fatty acid kinase (fak) B1 protein | protein | 281 | 41% helix, 24% strand | X5EH37 |
Ligands and binding sites
- PLM · Palmitic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.77 | 0.96 | 28 | PLM |
| 2 | 460 | 0.69 | 0.80 | 55 | PLM |
| 3 | 217 | 0.58 | 0.79 | 34 | empty |
| 4 | 371 | 0.56 | 0.75 | 39 | empty |
| 5 | 160 | 0.48 | 0.77 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 316 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6MH9 · The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein… · 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 X5EH37
- Elsewhere: RCSB PDB 6MH9 · PDBe 6MH9 · UniProt X5EH37
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