Browse entries in the PDBbind-CN Database

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Related entries of code: 1pkx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1p4rRCSB PDB    PDBbind592aa, >1P4R_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
1lolRCSB PDB    PDBbindXMP
1m9nRCSB PDB    PDBbindXMP
3tsdRCSB PDB    PDBbindXMP
6mxbRCSB PDB    PDBbindXMP
Entry Information
PDB ID1pkx
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namebifunctional purine biosynthesis protein purh
Ligand NameXMP
EC.Number E.C.2.1.2.3
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=0.12uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v43 pp. 1171-83, 2004
Ligand Properties
Formula C10H14N4O9P
Molecular Weight 365.213
Exact Mass 365.050
No. of atoms 38
No. of bonds 40
Polar Surface Area 216.74
LOGP Value -4.22      (Computed with XLOGP3)
-3.30      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
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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