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Related entries of code: 5wij
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4fvqRCSB PDB    PDBbind289aa, >4FVQ_1|Chain... *
4fvrRCSB PDB    PDBbind289aa, >4FVR_1|Chain... at 99%
5uszRCSB PDB    PDBbind289aa, >5USZ_1|Chain... at 100%
5ut0RCSB PDB    PDBbind289aa, >5UT0_1|Chain... at 100%
5ut4RCSB PDB    PDBbind289aa, >5UT4_1|Chain... at 100%
5ut6RCSB PDB    PDBbind289aa, >5UT6_1|Chain... at 100%
6g3cRCSB PDB    PDBbind272aa, >6G3C_1|Chains... at 99%
5winRCSB PDB    PDBbind277aa, >5WIN_1|Chain... at 100%
5wikRCSB PDB    PDBbind277aa, >5WIK_1|Chain... 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 ID5wij
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameTyrosine-protein kinase JAK2
Ligand NameAQG
EC.Number E.C.2.7.10.2
Resolution 2.04(Å)
Affinity (Kd/Ki/IC50)Kd=488nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2019) ACS Chem. Biol. Vol. 14: pp. 587-593
Ligand Properties
Formula C23H30N6O2
Molecular Weight 422.523
Exact Mass 422.243
No. of atoms 61
No. of bonds 64
Polar Surface Area 96.03
LOGP Value 4.84      (Computed with XLOGP3)
4.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): O60674  
Entrez Gene IDNCBI Entrez Gene ID: 3717  
ASDInformation of known allosteric effects of PDB entries
 
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