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Related entries of code: 1p4r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pkxRCSB PDB    PDBbind592aa, >1PKX_1|Chains... at 99%
1pl0RCSB PDB    PDBbind592aa, >1PL0_1|Chains... at 99%
5uy8RCSB PDB    PDBbind601aa, >5UY8_1|Chains... *
5uz0RCSB PDB    PDBbind601aa, >5UZ0_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1p4r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebifunctional purine biosynthesis protein purh
Ligand Name354
EC.Number E.C.2.1.2.3
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)Ki=8nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v279 pp. 18034-45, 2004
Ligand Properties
Formula C20H19N5O8S
Molecular Weight 489.459
Exact Mass 489.095
No. of atoms 53
No. of bonds 55
Polar Surface Area 230.02
LOGP Value 1.73      (Computed with XLOGP3)
2.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 13
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): P31939  
Entrez Gene IDNCBI Entrez Gene ID: 471  
ASDInformation of known allosteric effects of PDB entries

 
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