Browse entries in the PDBbind-CN Database

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Related entries of code: 2kce
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%
1f4gRCSB PDB    PDBbind264aa, >1F4G_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%
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
1hvyRCSB PDB    PDBbindD16
1i00RCSB PDB    PDBbindD16
2tsrRCSB PDB    PDBbindD16
Entry Information
PDB ID2kce
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethymidylate synthase
Ligand NameD16
EC.Number E.C.2.1.1.45
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=0.67uM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference Structure v4 pp. 1317-24, 1996
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): P0A884  
Entrez Gene IDNCBI Entrez Gene ID: 61754179  949035  
ASDInformation of known allosteric effects of PDB entries
 
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