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Fragment-based discovery of a potent inhibitor of replication protein a protein-protein interactions

Analyse Fragment-based discovery of a potent inhibitor of replication protein a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4O0A
Type
protein
Length
123 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Replication protein a 70 kda DNA-binding subunit
UniProt
P27694
Ligands
2P9

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReplication protein a 70 kda DNA-binding subunitprotein12320% helix, 39% strandP27694

Ligands and binding sites

  • 2P9 · 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid · ligand · chains A

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

Compared structures

  • 4O0A · Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein… · the same entry in another collection · chain A against A, TM-score 1.00
  • P27694 · AlphaFold monomer V2.0 prediction for replication protein a 70 kda DNA-binding subunit… · a predicted model of the same protein · chain A against A, TM-score 0.95

Analyse

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