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Related entries of code: 1njb
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%
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%
3ik1RCSB PDB    PDBbind316aa, >3IK1_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1bp0RCSB PDB    PDBbindUMP
1jmfRCSB PDB    PDBbindUMP
1jmgRCSB PDB    PDBbindUMP
1jmiRCSB PDB    PDBbindUMP
1njdRCSB PDB    PDBbindUMP
1tsvRCSB PDB    PDBbindUMP
1tsyRCSB PDB    PDBbindUMP
2yazRCSB PDB    PDBbindUMP
3hb8RCSB PDB    PDBbindUMP
Entry Information
PDB ID1njb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethymidylate synthase
Ligand NameUMP
EC.Number E.C.2.1.1.45
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)Kd=1.6uM
Release Year1996
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v35 pp. 5125-36, 1996
Ligand Properties
Formula C9H14N2O8P
Molecular Weight 309.190
Exact Mass 309.049
No. of atoms 34
No. of bonds 35
Polar Surface Area 167.83
LOGP Value -3.14      (Computed with XLOGP3)
-2.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 10
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): P00469  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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