Browse entries in the PDBbind-CN Database

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Related entries of code: 3ik1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bp0RCSB PDB    PDBbind316aa, >1BP0_1|Chain... *
1jmfRCSB PDB    PDBbind316aa, >1JMF_1|Chain... at 99%
1jmgRCSB PDB    PDBbind316aa, >1JMG_1|Chain... at 99%
1jmiRCSB PDB    PDBbind316aa, >1JMI_1|Chain... at 99%
1njaRCSB PDB    PDBbind316aa, >1NJA_1|Chain... at 99%
1njbRCSB PDB    PDBbind316aa, >1NJB_1|Chain... at 99%
1njcRCSB PDB    PDBbind316aa, >1NJC_1|Chain... at 99%
1njdRCSB PDB    PDBbind316aa, >1NJD_1|Chain... at 99%
1njeRCSB PDB    PDBbind316aa, >1NJE_1|Chain... at 99%
1tslRCSB PDB    PDBbind316aa, >1TSL_1|Chain... at 99%
1tsmRCSB PDB    PDBbind316aa, >1TSM_1|Chain... at 99%
1tsvRCSB PDB    PDBbind316aa, >1TSV_1|Chain... at 99%
1tsyRCSB PDB    PDBbind316aa, >1TSY_1|Chain... at 99%
3ijzRCSB PDB    PDBbind316aa, >3IJZ_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3ik1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLactobacillus casei Thymidylate Synthase
Ligand Name20C
EC.Number E.C.2.1.1.45
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)Ki=14uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J. Med. Chem., Vol.54, pp.5454-5467
Ligand Properties
Formula C16H11NO5
Molecular Weight 297.262
Exact Mass 297.064
No. of atoms 33
No. of bonds 35
Polar Surface Area 94.91
LOGP Value 3.63      (Computed with XLOGP3)
2.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
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): P00469  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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