Browse entries in the PDBbind-CN Database

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Related entries of code: 5win
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%
5wikRCSB PDB    PDBbind277aa, >5WIK_1|Chain... at 100%
5wijRCSB PDB    PDBbind277aa, >5WIJ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3amaRCSB PDB    PDBbindSKE
4qmuRCSB PDB    PDBbindSKE
5usyRCSB PDB    PDBbindSKE
5uszRCSB PDB    PDBbindSKE
6p11RCSB PDB    PDBbindSKE
6p10RCSB PDB    PDBbindSKE
Entry Information
PDB ID5win
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameTyrosine-protein kinase JAK2
Ligand NameSKE
EC.Number E.C.2.7.10.2
Resolution 2.38(Å)
Affinity (Kd/Ki/IC50)Kd=94nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2019) ACS Chem. Biol. Vol. 14: pp. 587-593
Ligand Properties
Formula C15H12F2N6O3S
Molecular Weight 394.356
Exact Mass 394.066
No. of atoms 39
No. of bonds 41
Polar Surface Area 154.37
LOGP Value 2.39      (Computed with XLOGP3)
3.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
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): O60674  
Entrez Gene IDNCBI Entrez Gene ID: 3717  
ASDInformation of known allosteric effects of PDB entries
 
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