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Related entries of code: 4ay6
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4ay6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman O-GlcNAc transferase (OGT)
Ligand Name12V
EC.Number E.C.2.4.1.255
Resolution 3.3(Å)
Affinity (Kd/Ki/IC50)Kd=7.5uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Nat.Chem.Biol. Vol. 8: pp. 969-974
Ligand Properties
Formula C17H29N3O16P2S
Molecular Weight 625.435
Exact Mass 625.074
No. of atoms 68
No. of bonds 70
Polar Surface Area 355.43
LOGP Value -6.01      (Computed with XLOGP3)
-4.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 19
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): O15294  Q15750  
Entrez Gene IDNCBI Entrez Gene ID: 8473  10454  
ASDInformation of known allosteric effects of PDB entries

 
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