Research workbench
Fragment-based discovery of protein-protein interaction inhibitors of replication protein a
Analyse Fragment-based discovery of protein-protein interaction inhibitors of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IJH
- 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
- 1EJ
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Replication protein a 70 kda DNA-binding subunit | protein | 123 | 20% helix, 39% strand | P27694 |
Ligands and binding sites
- 1EJ · 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid · ligand · 5 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.30 | 0.74 | 20 | 1EJ |
Compared structures
- 4IJH · Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication 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 0.94
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 P27694
- Elsewhere: RCSB PDB 4IJH · PDBe 4IJH · UniProt P27694
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