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Related entries of code: 2q8z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2qafRCSB PDB    PDBbind342aa, >2QAF_1|Chains... at 100%
2za3RCSB PDB    PDBbind323aa, >2ZA3_1|Chains... at 100%
3barRCSB PDB    PDBbind342aa, >3BAR_1|Chains... at 100%
3s9yRCSB PDB    PDBbind342aa, >3S9Y_1|Chains... at 100%
3vi2RCSB PDB    PDBbind323aa, >3VI2_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 ID2q8z
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePlasmodium falciparum ODCase
Ligand NameNUP
EC.Number E.C.4.1.1.23
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=2.1uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Med.Chem. Vol. 51: pp. 439-448
Ligand Properties
Formula C9H15N3O9P
Molecular Weight 340.204
Exact Mass 340.055
No. of atoms 37
No. of bonds 38
Polar Surface Area 206.46
LOGP Value -4.21      (Computed with XLOGP3)
-2.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 2
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): Q8IJH3  
Entrez Gene IDNCBI Entrez Gene ID: 810382  
ASDInformation of known allosteric effects of PDB entries
 
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