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Related entries of code: 1f4g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1f4eRCSB PDB    PDBbind264aa, >1F4E_1|Chain... at 100%
1f4fRCSB PDB    PDBbind264aa, >1F4F_1|Chains... at 100%
1jg0RCSB PDB    PDBbind264aa, >1JG0_1|Chains... at 99%
1jtqRCSB PDB    PDBbind264aa, >1JTQ_1|Chains... at 100%
1jutRCSB PDB    PDBbind264aa, >1JUT_1|Chains... at 100%
1tysRCSB PDB    PDBbind264aa, >1TYS_1|Chain... at 99%
2kceRCSB PDB    PDBbind264aa, >2KCE_1|Chains... at 100%
6nnrRCSB PDB    PDBbind264aa, >6NNR_1|Chains... at 100%
4lrrRCSB PDB    PDBbind265aa, >4LRR_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1f4g
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namethymidylate synthase
Ligand NameTP4
EC.Number E.C.2.1.1.45
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=330nM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference Proc.Natl.Acad.Sci.USA v97 pp. 9367-72, 2000
Ligand Properties
Formula C20H25N3O10S
Molecular Weight 499.492
Exact Mass 499.126
No. of atoms 59
No. of bonds 60
Polar Surface Area 215.86
LOGP Value 2.97      (Computed with XLOGP3)
1.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 13
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): P0A884  
Entrez Gene IDNCBI Entrez Gene ID: 61754179  949035  
ASDInformation of known allosteric effects of PDB entries
 
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