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Related entries of code: 1bux
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hiyRCSB PDB    PDBbind155aa, >1HIY_1|Chains... at 100%
1mn9RCSB PDB    PDBbind155aa, >1MN9_1|Chains... at 99%
1s5zRCSB PDB    PDBbind155aa, >1S5Z_1|Chains... at 100%
4cp5RCSB PDB    PDBbind155aa, >4CP5_1|Chains... 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 ID1bux
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namenucleoside diphosphate kinase
Ligand NamePPS
EC.Number E.C.2.7.4.6
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=14uM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v273 pp. 28773-8, 1998
Ligand Properties
Formula C10H17N5O13P2S
Molecular Weight 509.280
Exact Mass 509.002
No. of atoms 48
No. of bonds 50
Polar Surface Area 317.85
LOGP Value -5.27      (Computed with XLOGP3)
-1.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 18
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): P22887  
Entrez Gene IDNCBI Entrez Gene ID: 8618831  8619145  
ASDInformation of known allosteric effects of PDB entries

 
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