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Related entries of code: 4m5i
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%
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%
5etnRCSB PDB    PDBbind162aa, >5ETN_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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4m5i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
Ligand NameYH6
EC.Number E.C.2.7.6.3
Resolution 1.08(Å)
Affinity (Kd/Ki/IC50)Kd=6.7uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem. Vol. 22: pp. 2157-2165
Ligand Properties
Formula C14H13N5O2S
Molecular Weight 315.350
Exact Mass 315.079
No. of atoms 35
No. of bonds 37
Polar Surface Area 142.82
LOGP Value 1.55      (Computed with XLOGP3)
2.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
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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