Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 1tsm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bp0RCSB PDB    PDBbind316aa, >1BP0:A|PDBID|CHAIN|... *
1jmfRCSB PDB    PDBbind316aa, >1JMF:A|PDBID|CHAIN|... at 99%
1jmgRCSB PDB    PDBbind316aa, >1JMG:A|PDBID|CHAIN|... at 99%
1jmiRCSB PDB    PDBbind316aa, >1JMI:A|PDBID|CHAIN|... at 99%
1njaRCSB PDB    PDBbind316aa, >1NJA:A|PDBID|CHAIN|... at 99%
1njbRCSB PDB    PDBbind316aa, >1NJB:A|PDBID|CHAIN|... at 99%
1njcRCSB PDB    PDBbind316aa, >1NJC:A|PDBID|CHAIN|... at 99%
1njdRCSB PDB    PDBbind316aa, >1NJD:A|PDBID|CHAIN|... at 99%
1njeRCSB PDB    PDBbind316aa, >1NJE:A|PDBID|CHAIN|... at 99%
1tslRCSB PDB    PDBbind316aa, >1TSL:A|PDBID|CHAIN|... at 99%
1tsvRCSB PDB    PDBbind316aa, >1TSV:A|PDBID|CHAIN|... at 99%
1tsyRCSB PDB    PDBbind316aa, >1TSY:A|PDBID|CHAIN|... at 99%
3ijzRCSB PDB    PDBbind316aa, >3IJZ:A|PDBID|CHAIN|... at 99%
3ik1RCSB PDB    PDBbind316aa, >3IK1:A|PDBID|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 ID1tsm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethymidylate synthase
Ligand NameMR2
EC.Number E.C.2.1.1.45
Resolution 3(Å)
Affinity (Kd/Ki/IC50)Ki=1.0uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v38 pp. 1607-17, 1999
Ligand Properties
Formula C24H15NO6
Molecular Weight 413.379
Exact Mass 413.090
No. of atoms 46
No. of bonds 50
Polar Surface Area 112.58
LOGP Value 4.89      (Computed with XLOGP3)
5.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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

 
This site has been visited times since Nov 2007.


Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@fudan.edu.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China