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Structure of humanised rada-mutant HUMRADA22F in complex with indole- 6-carboxylic acid

Analyse Structure of humanised rada-mutant HUMRADA22F in complex with indole… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5J4H
Type
protein
Length
225 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA repair and recombination protein rada
UniProt
O74036
Ligands
1F1, NA, CA
Pockets
1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA repair and recombination protein radaprotein22538% helix, 25% strandO74036

Ligands and binding sites

  • 1F1 · 1H-indole-6-carboxylic acid · ligand · chains A
  • NA · Sodium ion · metal · 2 copies · chains A
  • CA · Calcium ion · metal · chains A
  • DMS · Dimethyl sulfoxide · additive · 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
11620.580.8223empty

Compared structures

  • 5J4H · Structure of humanised RadA-mutant humRadA22F in complex with indole-6-carboxylic acid · the same entry in another collection · chain A against A, TM-score 1.00
  • O74036 · AlphaFold monomer V2.0 prediction for DNA repair and recombination protein rada (O74036) · a predicted model of the same protein · chain A against A, TM-score 0.97

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