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Related entries of code: 4op2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bb9RCSB PDB    PDBbind633aa, >4BB9_1|Chain... at 98%
4ly9RCSB PDB    PDBbind637aa, >4LY9_1|Chains... at 100%
4mquRCSB PDB    PDBbind636aa, >4MQU_1|Chains... at 99%
4mroRCSB PDB    PDBbind636aa, >4MRO_1|Chains... at 99%
4msuRCSB PDB    PDBbind636aa, >4MSU_1|Chains... at 99%
4ohkRCSB PDB    PDBbind638aa, >4OHK_1|Chains... *
4ohmRCSB PDB    PDBbind638aa, >4OHM_1|Chains... at 100%
4ohoRCSB PDB    PDBbind638aa, >4OHO_1|Chains... at 100%
4ohpRCSB PDB    PDBbind638aa, >4OHP_1|Chains... at 100%
4olhRCSB PDB    PDBbind638aa, >4OLH_1|Chains... at 100%
4op1RCSB PDB    PDBbind638aa, >4OP1_1|Chains... at 100%
4op3RCSB PDB    PDBbind638aa, >4OP3_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 ID4op2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGlucokinase Regulatory Protein GKRP
Ligand Name2UX
EC.Number E.C.-.-.-.-
Resolution 2.24(Å)
Affinity (Kd/Ki/IC50)IC50=1.176uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem.DOI: 10.1021/jm5018175: pp.1-84
Ligand Properties
Formula C20H17F3N2O3S
Molecular Weight 422.421
Exact Mass 422.091
No. of atoms 46
No. of bonds 48
Polar Surface Area 101.66
LOGP Value 3.38      (Computed with XLOGP3)
5.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): Q14397  
Entrez Gene IDNCBI Entrez Gene ID: 2646  
ASDInformation of known allosteric effects of PDB entries

 
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