MolNFT v1 · #105420 · protein
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
4R4I · Replication protein a 70 kda DNA-binding subunit: “Structure of RPA70N in complex with 5-(4-((6-(5-carboxyfuran-2-yl)-1…”. X-ray diffraction, 1 ligand (3HV), 1 pocket (best druggability 0.25). MolNFT v1 #105420 on GenesisL1: 3D…
- PDB
- 4R4I
- 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
- 3HV
- Pockets
- 1 · best druggability 0.25
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Replication protein a 70 kda DNA-binding subunit | protein | 123 | 19% helix, 41% strand | P27694 |
Ligands and binding sites
- 3HV · 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 · ligand · 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 | 54 | 0.25 | 0.72 | 15 | empty |
Compared structures
- 4R4I · Structure of RPA70N in complex with 5-(4-((6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroiso… · 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
- 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 4R4I · PDBe 4R4I · UniProt P27694
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