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Related entries of code: 5jyo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3uo9RCSB PDB    PDBbind534aa, >3UO9_1|Chains... at 98%
3vozRCSB PDB    PDBbind315aa, >3VOZ_1|Chain... at 99%
3vp1RCSB PDB    PDBbind315aa, >3VP1_1|Chain... at 99%
3vp2RCSB PDB    PDBbind315aa, >3VP2_1|Chain... at 99%
3vp3RCSB PDB    PDBbind315aa, >3VP3_1|Chain... at 99%
3vp4RCSB PDB    PDBbind316aa, >3VP4_1|Chain... at 99%
4jktRCSB PDB    PDBbind479aa, >4JKT_1|Chains... at 97%
4o7dRCSB PDB    PDBbind313aa, >4O7D_1|Chain... at 99%
5fi2RCSB PDB    PDBbind539aa, >5FI2_1|Chains... *
5fi6RCSB PDB    PDBbind539aa, >5FI6_1|Chains... at 100%
5fi7RCSB PDB    PDBbind539aa, >5FI7_1|Chains... at 100%
5i94RCSB PDB    PDBbind539aa, >5I94_1|Chains... at 99%
5jypRCSB PDB    PDBbind333aa, >5JYP_1|Chain... at 94%
5wj6RCSB PDB    PDBbind539aa, >5WJ6_2|Chain... 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 ID5jyo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namekidney-type glutaminase catalytic domain (221-533, cKGA)
Ligand Name63J
EC.Number E.C.3.5.1.2
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=0.003uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Oncotarget Vol.7No.36 : pp.57943 -57954
Ligand Properties
Formula C26H24F3N7O3S
Molecular Weight 571.574
Exact Mass 571.161
No. of atoms 64
No. of bonds 67
Polar Surface Area 160.12
LOGP Value 3.65      (Computed with XLOGP3)
4.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
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): O94925  
Entrez Gene IDNCBI Entrez Gene ID: 2744  
ASDInformation of known allosteric effects of PDB entries
 
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