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Related entries of code: 3fl9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2qk8RCSB PDB    PDBbind162aa, >2QK8:A|PDBID|CHAIN|... at 100%
3fl8RCSB PDB    PDBbind166aa, >3FL8:H|PDBID|CHAIN|... at 100%
4elbRCSB PDB    PDBbind166aa, >4ELB:H|PDBID|CHAIN|... at 100%
4eleRCSB PDB    PDBbind166aa, >4ELE:H|PDBID|CHAIN|... at 100%
4elfRCSB PDB    PDBbind166aa, >4ELF:H|PDBID|CHAIN|... at 100%
4elgRCSB PDB    PDBbind166aa, >4ELG:H|PDBID|CHAIN|... at 100%
4elhRCSB PDB    PDBbind166aa, >4ELH:H|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2w9hRCSB PDB    PDBbindTOP
3n0hRCSB PDB    PDBbindTOP
3s3vRCSB PDB    PDBbindTOP
4km2RCSB PDB    PDBbindTOP

Entry Information
PDB ID3fl9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameB. anthracis dihydrofolate reductase (DHFR)
Ligand NameTOP
EC.Number E.C.
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=77.2mM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference(2009) Antimicrob.Agents Chemother. Vol. 53: pp. 3065-3073
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 likenessNo. 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): Q81R22  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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