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Related entries of code: 3jqf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2wd7RCSB PDB    PDBbind268aa, >2WD7_2|Chains... at 100%
3bmnRCSB PDB    PDBbind288aa, >3BMN_2|Chains... at 100%
3bmoRCSB PDB    PDBbind288aa, >3BMO_2|Chain... at 100%
3bmqRCSB PDB    PDBbind288aa, >3BMQ_2|Chains... at 100%
3jq7RCSB PDB    PDBbind288aa, >3JQ7_2|Chain... at 100%
3jq8RCSB PDB    PDBbind288aa, >3JQ8_2|Chains... at 100%
3jq9RCSB PDB    PDBbind288aa, >3JQ9_2|Chains... at 100%
3jqaRCSB PDB    PDBbind288aa, >3JQA_3|Chain... at 100%
3jqbRCSB PDB    PDBbind288aa, >3JQB_2|Chain... at 100%
3jqgRCSB PDB    PDBbind288aa, >3JQG_2|Chains... at 100%
4wcfRCSB PDB    PDBbind268aa, >4WCF_3|Chain... at 100%
5izcRCSB PDB    PDBbind268aa, >5IZC_1|Chains... at 100%
5jcjRCSB PDB    PDBbind288aa, >5JCJ_2|Chain... at 100%
5jdcRCSB PDB    PDBbind288aa, >5JDC_2|Chain... at 100%
5jdiRCSB PDB    PDBbind288aa, >5JDI_2|Chain... at 100%
5k6aRCSB PDB    PDBbind288aa, >5K6A_2|Chain... at 100%
6gclRCSB PDB    PDBbind288aa, >6GCL_2|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 ID3jqf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePteridine Reductase 1 (PTR1) from Trypanosoma brucei
Ligand NameAX2
EC.Number E.C.1.5.1.33
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=35uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 221-229
Ligand Properties
Formula C3H6N6
Molecular Weight 126.120
Exact Mass 126.065
No. of atoms 15
No. of bonds 15
Polar Surface Area 116.73
LOGP Value -1.07      (Computed with XLOGP3)
0.36      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): Q581W1  
Entrez Gene IDNCBI Entrez Gene ID: 3659203  
ASDInformation of known allosteric effects of PDB entries
 
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