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Related entries of code: 5etn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ex8RCSB PDB    PDBbind158aa, >1EX8_1|Chain... at 100%
1ru1RCSB PDB    PDBbind152aa, >1RU1_1|Chains... at 99%
1ru2RCSB PDB    PDBbind152aa, >1RU2_1|Chain... at 99%
1tmmRCSB PDB    PDBbind158aa, >1TMM_1|Chains... at 99%
3ud5RCSB PDB    PDBbind158aa, >3UD5_1|Chain... at 100%
3udvRCSB PDB    PDBbind158aa, >3UDV_1|Chain... at 100%
4f7vRCSB PDB    PDBbind158aa, >4F7V_1|Chain... at 100%
4m5gRCSB PDB    PDBbind162aa, >4M5G_1|Chain... *
4m5hRCSB PDB    PDBbind162aa, >4M5H_1|Chain... at 100%
4m5iRCSB PDB    PDBbind162aa, >4M5I_1|Chain... at 100%
4m5jRCSB PDB    PDBbind162aa, >4M5J_1|Chain... at 100%
4m5kRCSB PDB    PDBbind162aa, >4M5K_1|Chain... at 100%
4m5lRCSB PDB    PDBbind162aa, >4M5L_1|Chain... at 100%
4m5mRCSB PDB    PDBbind162aa, >4M5M_1|Chain... at 100%
4m5nRCSB PDB    PDBbind162aa, >4M5N_1|Chains... at 100%
5etkRCSB PDB    PDBbind162aa, >5ETK_1|Chain... at 99%
5etlRCSB PDB    PDBbind162aa, >5ETL_1|Chains... at 99%
5etmRCSB PDB    PDBbind162aa, >5ETM_1|Chain... at 99%
5etoRCSB PDB    PDBbind162aa, >5ETO_1|Chain... at 99%
5etpRCSB PDB    PDBbind162aa, >5ETP_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5etsRCSB PDB    PDBbind5RX
Entry Information
PDB ID5etn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (EcHPPK)
Ligand Name5RX
EC.Number E.C.2.7.6.3
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=4.3uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 5248-5263
Ligand Properties
Formula C12H10ClN5OS
Molecular Weight 307.759
Exact Mass 307.029
No. of atoms 30
No. of bonds 32
Polar Surface Area 125.75
LOGP Value 1.89      (Computed with XLOGP3)
2.76      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
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): P26281  
Entrez Gene IDNCBI Entrez Gene ID: 948792  
ASDInformation of known allosteric effects of PDB entries
 
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