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Related entries of code: 3s3v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1kmvRCSB PDB    PDBbind186aa, >1KMV_1|Chain... *
1u71RCSB PDB    PDBbind186aa, >1U71_1|Chain... at 99%
3eigRCSB PDB    PDBbind186aa, >3EIG_1|Chain... at 98%
3n0hRCSB PDB    PDBbind186aa, >3N0H_1|Chain... at 98%
3oafRCSB PDB    PDBbind186aa, >3OAF_1|Chain... at 98%
3s7aRCSB PDB    PDBbind186aa, >3S7A_1|Chain... at 100%
4g95RCSB PDB    PDBbind186aa, >4G95_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2w9hRCSB PDB    PDBbindTOP
3fl9RCSB PDB    PDBbindTOP
3n0hRCSB PDB    PDBbindTOP
4km2RCSB PDB    PDBbindTOP
Entry Information
PDB ID3s3v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDihydrofolate reductase, hDHFR (Q35K/N64F)
Ligand NameTOP
EC.Number E.C.1.5.1.3
Resolution 1.53(Å)
Affinity (Kd/Ki/IC50)Ki=593nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Struct.Biol. Vol. 176: pp. 52-59
Ligand Properties
Formula C14H18N4O3
Molecular Weight 290.318
Exact Mass 290.138
No. of atoms 39
No. of bonds 40
Polar Surface Area 105.51
LOGP Value 1.34      (Computed with XLOGP3)
2.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): P00374  
Entrez Gene IDNCBI Entrez Gene ID: 1719  
ASDInformation of known allosteric effects of PDB entries
 
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