Browse entries in the PDBbind-CN Database

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Related entries of code: 2tsr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hvyRCSB PDB    PDBbindD16
1i00RCSB PDB    PDBbindD16
2kceRCSB PDB    PDBbindD16

Entry Information
PDB ID2tsr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethymidylate synthase
Ligand NameD16
EC.Number E.C.2.1.1.45
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=29nM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v38 pp. 1087-94, 1999
Ligand Properties
Formula C21H22N4O6S
Molecular Weight 458.488
Exact Mass 458.126
No. of atoms 54
No. of bonds 56
Polar Surface Area 180.93
LOGP Value 3.74      (Computed with XLOGP3)
2.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
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): P45352  
Entrez Gene IDNCBI Entrez Gene ID: 29261  
ASDInformation of known allosteric effects of PDB entries

 
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