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Related entries of code: 1ex8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ru1RCSB PDB    PDBbind152aa, >1RU1:B|PDBID|CHAIN|... at 99%
1ru2RCSB PDB    PDBbind152aa, >1RU2:A|PDBID|CHAIN|... at 99%
1tmmRCSB PDB    PDBbind158aa, >1TMM:B|PDBID|CHAIN|... at 99%
3ud5RCSB PDB    PDBbind158aa, >3UD5:A|PDBID|CHAIN|... at 100%
3udvRCSB PDB    PDBbind158aa, >3UDV:A|PDBID|CHAIN|... at 100%
4f7vRCSB PDB    PDBbind158aa, >4F7V:A|PDBID|CHAIN|... at 100%
4m5gRCSB PDB    PDBbind162aa, >4M5G:A|PDBID|CHAIN|... *
4m5hRCSB PDB    PDBbind162aa, >4M5H:A|PDBID|CHAIN|... at 100%
4m5iRCSB PDB    PDBbind162aa, >4M5I:A|PDBID|CHAIN|... at 100%
4m5jRCSB PDB    PDBbind162aa, >4M5J:A|PDBID|CHAIN|... at 100%
4m5kRCSB PDB    PDBbind162aa, >4M5K:A|PDBID|CHAIN|... at 100%
4m5lRCSB PDB    PDBbind162aa, >4M5L:A|PDBID|CHAIN|... at 100%
4m5mRCSB PDB    PDBbind162aa, >4M5M:A|PDBID|CHAIN|... at 100%
4m5nRCSB PDB    PDBbind162aa, >4M5N:B|PDBID|CHAIN|... at 100%
5etkRCSB PDB    PDBbind162aa, >5ETK:A|PDBID|CHAIN|... at 99%
5etlRCSB PDB    PDBbind162aa, >5ETL:D|PDBID|CHAIN|... at 99%
5etmRCSB PDB    PDBbind162aa, >5ETM:A|PDBID|CHAIN|... at 99%
5etnRCSB PDB    PDBbind162aa, >5ETN:A|PDBID|CHAIN|... at 99%
5etoRCSB PDB    PDBbind162aa, >5ETO:A|PDBID|CHAIN|... at 99%
5etpRCSB PDB    PDBbind162aa, >5ETP:A|PDBID|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 ID1ex8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
Ligand NameA4P
EC.Number E.C.2.7.6.3
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=0.47uM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary ReferenceJ.Med.Chem. v44 pp. 1364-71, 2001
Ligand Properties
Formula C17H26N10O17P4
Molecular Weight 766.340
Exact Mass 766.043
No. of atoms 74
No. of bonds 78
Polar Surface Area 479.21
LOGP Value -8.37      (Computed with XLOGP3)
-2.27      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 27
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): P26281  
Entrez Gene IDNCBI Entrez Gene ID: 948792  
ASDInformation of known allosteric effects of PDB entries

 
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