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Related entries of code: 4jls
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4jitRCSB PDB    PDBbind152aa, >4JIT_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4jls
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameXanthine phosphoribosyltransferase, E. coli XGPRT
Ligand Name3ZE
EC.Number E.C.2.4.2.22
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=2.2uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 6967-6984
Ligand Properties
Formula C11H16N6O6P
Molecular Weight 359.255
Exact Mass 359.087
No. of atoms 40
No. of bonds 42
Polar Surface Area 204.41
LOGP Value -4.46      (Computed with XLOGP3)
-2.30      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 12
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): P0A9M5  
Entrez Gene IDNCBI Entrez Gene ID: 61752993  944817  
ASDInformation of known allosteric effects of PDB entries

 
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