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Structure of the recombination mediator protein recf-ATP in recfor pathway

Analyse Structure of the recombination mediator protein recf-ATP in recfor pathway in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Z68
Type
protein
Length
1,472 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA replication and repair protein recf
UniProt
Q8RDL3
Ligands
ATP, MG
Pockets
12 · best druggability 0.85

Structure

x-ray diffraction · 4 distinct chains · 42% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA replication and repair protein recfprotein36843% helix, 22% strandQ8RDL3
BDNA replication and repair protein recfprotein36845% helix, 21% strandQ8RDL3
CDNA replication and repair protein recfprotein37338% helix, 22% strandQ8RDL3
DDNA replication and repair protein recfprotein36341% helix, 22% strandQ8RDL3

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 4 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
  • IMD · Imidazole · additive · 21 copies · chains A, B, C, D

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

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110670.850.85122ATP, IMD, MG
211430.850.85118ATP, IMD, MG
36140.780.8466ATP, IMD, MG
43610.690.8244ATP, MG
51570.640.8624IMD

Interfaces

4 interfaces between chains.

  • A–B · 792 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 780 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 228 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 69 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5Z68 · Structure of the recombination mediator protein RecF-ATP in RecFOR pathway · the same entry in another collection · chain D against D, TM-score 1.00
  • Q8RDL3 · AlphaFold monomer V2.0 prediction for DNA replication and repair protein recf (Q8RDL3) · a predicted model of the same protein · chain A against A, TM-score 0.97

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