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Related entries of code: 5abe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2j47RCSB PDB    PDBbind716aa, >2J47_1|Chain... at 100%
2j4gRCSB PDB    PDBbind715aa, >2J4G_1|Chains... at 100%
2jiwRCSB PDB    PDBbind716aa, >2JIW_1|Chains... at 99%
2vvnRCSB PDB    PDBbind737aa, >2VVN_1|Chains... *
2vvsRCSB PDB    PDBbind737aa, >2VVS_1|Chain... at 100%
2w4xRCSB PDB    PDBbind716aa, >2W4X_1|Chain... at 100%
2w66RCSB PDB    PDBbind716aa, >2W66_1|Chains... at 100%
2w67RCSB PDB    PDBbind716aa, >2W67_1|Chains... at 100%
2wcaRCSB PDB    PDBbind716aa, >2WCA_1|Chain... at 100%
2xj7RCSB PDB    PDBbind716aa, >2XJ7_1|Chains... at 100%
2xm1RCSB PDB    PDBbind716aa, >2XM1_1|Chains... at 100%
2xm2RCSB PDB    PDBbind716aa, >2XM2_1|Chains... at 100%
5abfRCSB PDB    PDBbind726aa, >5ABF_2|Chain... at 98%
5abgRCSB PDB    PDBbind726aa, >5ABG_1|Chains... at 98%
5abhRCSB PDB    PDBbind726aa, >5ABH_1|Chains... at 98%
5fkyRCSB PDB    PDBbind716aa, >5FKY_1|Chains... at 100%
5fl0RCSB PDB    PDBbind716aa, >5FL0_1|Chains... at 100%
5fl1RCSB PDB    PDBbind716aa, >5FL1_1|Chains... at 100%
5mi5RCSB PDB    PDBbind727aa, >5MI5_1|Chain... at 97%
5mi6RCSB PDB    PDBbind727aa, >5MI6_1|Chain... at 97%
5mi7RCSB PDB    PDBbind727aa, >5MI7_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5abe
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameO-GLCNACASE BT_4395
Ligand NameXQO
EC.Number E.C.3.2.1.169
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=890uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Angew.Chem.Int.Ed.Engl. Vol.54: pp.15429-15433
Ligand Properties
Formula C13H27N2O4
Molecular Weight 275.364
Exact Mass 275.197
No. of atoms 46
No. of bonds 46
Polar Surface Area 94.23
LOGP Value -0.16      (Computed with XLOGP3)
-0.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): Q89ZI2  
Entrez Gene IDNCBI Entrez Gene ID: 60925570  
ASDInformation of known allosteric effects of PDB entries
 
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