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Related entries of code: 6pf5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hvyRCSB PDB    PDBbind288aa, >1HVY_1|Chains... at 100%
1i00RCSB PDB    PDBbind290aa, >1I00_1|Chains... at 97%
1jujRCSB PDB    PDBbind313aa, >1JUJ_1|Chains... at 99%
2onbRCSB PDB    PDBbind313aa, >2ONB_1|Chain... at 100%
3h9kRCSB PDB    PDBbind313aa, >3H9K_1|Chains... at 99%
3hb8RCSB PDB    PDBbind313aa, >3HB8_1|Chains... at 99%
3n5eRCSB PDB    PDBbind325aa, >3N5E_1|Chain... at 100%
4e28RCSB PDB    PDBbind325aa, >4E28_1|Chain... at 100%
4fgtRCSB PDB    PDBbind325aa, >4FGT_1|Chain... at 99%
6pf6RCSB PDB    PDBbind290aa, >6PF6_1|Chains... at 97%
6pf4RCSB PDB    PDBbind290aa, >6PF4_1|Chains... at 97%
6pf3RCSB PDB    PDBbind290aa, >6PF3_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6pf5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman thymidylate synthase Delta (7-29)
Ligand NameOED
EC.Number E.C.2.1.1.45
Resolution 2.39(Å)
Affinity (Kd/Ki/IC50)IC50=11uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Eur.J.Med.Chem. Vol. 183: pp. 111673-111673
Ligand Properties
Formula C23H22N5O5
Molecular Weight 448.451
Exact Mass 448.162
No. of atoms 55
No. of bonds 58
Polar Surface Area 164.44
LOGP Value 4.16      (Computed with XLOGP3)
2.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
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): P04818  
Entrez Gene IDNCBI Entrez Gene ID: 7298  
ASDInformation of known allosteric effects of PDB entries
 
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