Structure of RPA70N in complex with 5-(4-((6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid. Determined by X-ray diffraction at 1.4 Å resolution. Released 19 Nov 2014.
Explore 4R4I in 3D Show helices and sheets RCSB PDB PDBe
4R4I contains 5 α-helices and 6 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 1-4 | 4 | |
| α-helix | 9-15 | 7 | |
| β-strand | 24-33 | 10 | 1 |
| β-strand | 41-47 | 7 | 1 |
| β-strand | 51-58 | 8 | 1 |
| α-helix | 60-62 | 3 | |
| α-helix | 63-67 | 5 | |
| β-strand | 76-86 | 11 | 1 |
| β-strand | 92-103 | 12 | 1 |
| α-helix | 105-108 | 4 | |
| β-strand | 116-117 | 2 | 1 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Replication protein A 70 kDa DNA-binding subunit | A | protein | 123 | Homo sapiens | P27694 (AlphaFold model) |
>4R4I_1 Replication protein A 70 kDa DNA-binding subunit (chains A) GSHMVGQLSRGAIAAIMQKGDTNIKPILQVINIRPITTGNSPPRYRLLMSDGLNTLSSFM LATQLNPLVEEEQLSSNCVCQIHRFIVNTLKDGRRVVILMELEVLKSAEAVGVKIGNPVP YNE
| ID | Name | Formula | Copies |
|---|---|---|---|
| 3HV | 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}… | C31 H21 Cl2 N3 O5 S | 1 |
Diphenylpyrazoles as replication protein a inhibitors. Waterson, A.G., Kennedy, J.P., Patrone, J.D. et al. ACS Med Chem Lett (2015) 6:140-145. DOI 10.1021/ml5003629 · PubMed
Other PDB entries of the same protein (UniProt P27694 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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