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Co-soak crystal structure of the N-terminal domain of staphylococcus aureus fatty acid kinase a (faka, residues 1-208) in complex with ADP to 1.9 ångström resolution - sad data

Analyse Co-soak crystal structure of the N-terminal domain of staphylococcus aureus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7RZK
Type
protein
Length
208 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fatty acid kinase a
UniProt
Q7A5Z4
Ligands
ADP, CO, MG
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFatty acid kinase aprotein20873% helix, 2% strandQ7A5Z4

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • CO · Cobalt (II) ion · metal · 6 copies · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11460.590.8427ADP, MG

Compared structures

  • 7RZK · Co-soak crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7A5Z4 · AlphaFold monomer V2.0 prediction for uncharacterized protein SA1069 (Q7A5Z4) · a predicted model of the same protein · chain A against A, TM-score 0.98

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