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Related entries of code: 3fl8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2qk8RCSB PDB    PDBbind162aa, >2QK8_1|Chain... at 100%
3fl9RCSB PDB    PDBbind166aa, >3FL9_1|Chains... at 100%
4elbRCSB PDB    PDBbind166aa, >4ELB_1|Chains... at 100%
4eleRCSB PDB    PDBbind166aa, >4ELE_1|Chains... at 100%
4elfRCSB PDB    PDBbind166aa, >4ELF_1|Chains... at 100%
4elgRCSB PDB    PDBbind166aa, >4ELG_1|Chains... at 100%
4elhRCSB PDB    PDBbind166aa, >4ELH_1|Chains... 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 ID3fl8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameB. anthracis dihydrofolate reductase (DHFR)
Ligand NameRAR
EC.Number E.C.1.5.1.3
Resolution 2.29(Å)
Affinity (Kd/Ki/IC50)IC50=54nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Antimicrob.Agents Chemother. Vol. 53: pp. 3065-3073
Ligand Properties
Formula C27H39N6O3
Molecular Weight 495.637
Exact Mass 495.308
No. of atoms 75
No. of bonds 78
Polar Surface Area 133.2
LOGP Value 2.48      (Computed with XLOGP3)
4.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
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 IDNCBI Entrez Gene ID: 45022130  61737481  
ASDInformation of known allosteric effects of PDB entries

 
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