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Related entries of code: 1mrs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mrnRCSB PDB    PDBbind214aa, >1MRN_1|Chain... *
1w2gRCSB PDB    PDBbind214aa, >1W2G_1|Chains... at 100%
1w2hRCSB PDB    PDBbind214aa, >1W2H_1|Chains... at 100%
4unnRCSB PDB    PDBbind214aa, >4UNN_1|Chains... at 99%
4unpRCSB PDB    PDBbind210aa, >4UNP_1|Chain... at 100%
4unqRCSB PDB    PDBbind210aa, >4UNQ_1|Chains... at 100%
4unrRCSB PDB    PDBbind210aa, >4UNR_1|Chains... at 100%
4unsRCSB PDB    PDBbind210aa, >4UNS_1|Chains... at 100%
5nq5RCSB PDB    PDBbind214aa, >5NQ5_1|Chain... at 100%
5nr7RCSB PDB    PDBbind214aa, >5NR7_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1mrs
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namethymidylate kinase
Ligand Name5HU
EC.Number E.C.2.7.4.9
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=110uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v278 pp. 4963-71, 2003
Ligand Properties
Formula C10H16N2O9P
Molecular Weight 339.216
Exact Mass 339.059
No. of atoms 38
No. of bonds 39
Polar Surface Area 188.06
LOGP Value -3.46      (Computed with XLOGP3)
-2.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 11
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): P9WKE1  
Entrez Gene IDNCBI Entrez Gene ID: 888740  
ASDInformation of known allosteric effects of PDB entries

 
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