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Related entries of code: 4r4c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ijhRCSB PDB    PDBbind123aa, >4IJH_1|Chain... *
4ijlRCSB PDB    PDBbind123aa, >4IJL_1|Chain... at 100%
4luoRCSB PDB    PDBbind123aa, >4LUO_1|Chain... at 100%
4luvRCSB PDB    PDBbind123aa, >4LUV_1|Chain... at 100%
4luzRCSB PDB    PDBbind123aa, >4LUZ_1|Chain... at 100%
4lw1RCSB PDB    PDBbind123aa, >4LW1_1|Chain... at 100%
4lwcRCSB PDB    PDBbind123aa, >4LWC_1|Chain... at 100%
4o0aRCSB PDB    PDBbind123aa, >4O0A_1|Chain... at 100%
4r4iRCSB PDB    PDBbind123aa, >4R4I_1|Chain... at 100%
4r4oRCSB PDB    PDBbind123aa, >4R4O_1|Chain... at 100%
4r4qRCSB PDB    PDBbind123aa, >4R4Q_1|Chain... at 100%
4r4tRCSB PDB    PDBbind123aa, >4R4T_1|Chain... at 100%
5e7nRCSB PDB    PDBbind123aa, >5E7N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4r4c
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameReplication protein A 70 kDa DNA-binding subunit RPA70N
Ligand Name3HS
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=2.9uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) ACS Med.Chem.Lett.Vol.6: pp.140-145
Ligand Properties
Formula C29H18Cl3N3O6
Molecular Weight 610.829
Exact Mass 609.026
No. of atoms 59
No. of bonds 63
Polar Surface Area 134.66
LOGP Value 8.23      (Computed with XLOGP3)
7.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P27694  
Entrez Gene IDNCBI Entrez Gene ID: 6117  
ASDInformation of known allosteric effects of PDB entries

 
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