Browse entries in the PDBbind-CN Database

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Related entries of code: 1ppx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1punRCSB PDB    PDBbind129aa, >1PUN_1|Chain... at 100%
1puqRCSB PDB    PDBbind129aa, >1PUQ_1|Chain... at 100%
1pusRCSB PDB    PDBbind129aa, >1PUS_1|Chain... at 100%
3a6tRCSB PDB    PDBbind129aa, >3A6T_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1punRCSB PDB    PDBbind8OG
1puqRCSB PDB    PDBbind8OG
1pusRCSB PDB    PDBbind8OG
3a6tRCSB PDB    PDBbind8OG

Entry Information
PDB ID1ppx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemutator mutt protein
Ligand Name8OG
EC.Number E.C.3.6.1.0
Resolution NMR
Affinity (Kd/Ki/IC50)Kd=52nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v42 pp. 10140-54, 2003
Ligand Properties
Formula C10H15N5O8P
Molecular Weight 364.229
Exact Mass 364.066
No. of atoms 39
No. of bonds 41
Polar Surface Area 222.53
LOGP Value -4.40      (Computed with XLOGP3)
-2.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
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): P08337  
Entrez Gene IDNCBI Entrez Gene ID: 944824  
ASDInformation of known allosteric effects of PDB entries

 
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