Browse entries in the PDBbind-CN Database

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Related entries of code: 6pm9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5m7sRCSB PDB    PDBbind916aa, >5M7S_1|Chains... *
5m7tRCSB PDB    PDBbind916aa, >5M7T_1|Chains... at 100%
5m7uRCSB PDB    PDBbind916aa, >5M7U_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6pm9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecore catalytic domain of human O-GlcNAcase
Ligand NameOQ1
EC.Number E.C.3.2.1.169
Resolution 2.86(Å)
Affinity (Kd/Ki/IC50)Ki=7.9nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 10062-10097
Ligand Properties
Formula C9H14F2N2O3S
Molecular Weight 268.281
Exact Mass 268.069
No. of atoms 31
No. of bonds 32
Polar Surface Area 99.38
LOGP Value 0.04      (Computed with XLOGP3)
-0.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): O60502  
Entrez Gene IDNCBI Entrez Gene ID: 10724  
ASDInformation of known allosteric effects of PDB entries

 
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