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Related entries of code: 1mrn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mrsRCSB PDB    PDBbind214aa, >1MRS_1|Chain... at 100%
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
3tmkRCSB PDB    PDBbindT5A
4tmkRCSB PDB    PDBbindT5A
4uxhRCSB PDB    PDBbindT5A

Entry Information
PDB ID1mrn
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namethymidylate kinase
Ligand NameT5A
EC.Number E.C.2.7.4.9
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)Ki=30uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v278 pp. 4963-71, 2003
Ligand Properties
Formula C20H35N7O23P5
Molecular Weight 896.394
Exact Mass 896.047
No. of atoms 90
No. of bonds 94
Polar Surface Area 529.26
LOGP Value -8.85      (Computed with XLOGP3)
-3.47      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 30
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): P9WKE1  
Entrez Gene IDNCBI Entrez Gene ID: 888740  
ASDInformation of known allosteric effects of PDB entries

 
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