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Related entries of code: 6m89
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6m8dRCSB PDB    PDBbind261aa, >6M8D_1|Chain... at 100%
6m8cRCSB PDB    PDBbind261aa, >6M8C_1|Chain... at 100%
6m8bRCSB PDB    PDBbind261aa, >6M8B_1|Chain... at 100%
6m8aRCSB PDB    PDBbind261aa, >6M8A_1|Chain... at 100%
6m88RCSB PDB    PDBbind261aa, >6M88_1|Chain... *
6m8eRCSB PDB    PDBbind261aa, >6M8E_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2o3pRCSB PDB    PDBbindQUE
3cf8RCSB PDB    PDBbindQUE
4dfuRCSB PDB    PDBbindQUE
4lmuRCSB PDB    PDBbindQUE
4mraRCSB PDB    PDBbindQUE
5auwRCSB PDB    PDBbindQUE
5xg4RCSB PDB    PDBbindQUE
Entry Information
PDB ID6m89
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInositol polyphosphate multikinase
Ligand NameQUE
EC.Number E.C.2.7.1.151;2.7.1.140 ;2.7.1.153
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=2.3uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J. Med. Chem. Vol. 62: pp. 1443-1454
Ligand Properties
Formula C15H12O7
Molecular Weight 304.252
Exact Mass 304.058
No. of atoms 34
No. of bonds 36
Polar Surface Area 127.45
LOGP Value 1.48      (Computed with XLOGP3)
1.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): Q8NFU5  
Entrez Gene IDNCBI Entrez Gene ID: 253430  
ASDInformation of known allosteric effects of PDB entries
 
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