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Related entries of code: 2qaf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2q8zRCSB PDB    PDBbind342aa, >2Q8Z_1|Chains... *
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
1xz8RCSB PDB    PDBbindU5P
2j4kRCSB PDB    PDBbindU5P
2qcdRCSB PDB    PDBbindU5P
2qcnRCSB PDB    PDBbindU5P
2za3RCSB PDB    PDBbindU5P
3barRCSB PDB    PDBbindU5P
3dxgRCSB PDB    PDBbindU5P
3ex3RCSB PDB    PDBbindU5P
3ex6RCSB PDB    PDBbindU5P
3w07RCSB PDB    PDBbindU5P
4g0pRCSB PDB    PDBbindU5P
5km3RCSB PDB    PDBbindU5P
Entry Information
PDB ID2qaf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlasmodium falciparum ODCase
Ligand NameU5P
EC.Number E.C.4.1.1.23
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=4.4uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Med.Chem. Vol. 51: pp. 439-448
Ligand Properties
Formula C9H14N2O9P
Molecular Weight 325.189
Exact Mass 325.044
No. of atoms 35
No. of bonds 36
Polar Surface Area 188.06
LOGP Value -4.11      (Computed with XLOGP3)
-3.17      (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: 11
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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