Browse entries in the PDBbind-CN Database

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Related entries of code: 4py1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3nyxRCSB PDB    PDBbind302aa, >3NYX_1|Chain... at 93%
4gfoRCSB PDB    PDBbind302aa, >4GFO_1|Chain... at 93%
4gihRCSB PDB    PDBbind302aa, >4GIH_1|Chain... at 95%
4giiRCSB PDB    PDBbind302aa, >4GII_1|Chain... at 95%
4gj2RCSB PDB    PDBbind302aa, >4GJ2_1|Chain... at 95%
4gj3RCSB PDB    PDBbind302aa, >4GJ3_1|Chain... at 95%
5f1zRCSB PDB    PDBbind301aa, >5F1Z_1|Chain... at 94%
5f20RCSB PDB    PDBbind301aa, >5F20_1|Chain... at 94%
5walRCSB PDB    PDBbind302aa, >5WAL_1|Chain... at 95%
6aamRCSB PDB    PDBbind298aa, >6AAM_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4py1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNon-receptor tyrosine-protein kinase TYK2
Ligand Name2YK
EC.Number E.C.2.7.10.2
Resolution 2.16(Å)
Affinity (Kd/Ki/IC50)IC50=64nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 4132-4140
Ligand Properties
Formula C17H16N6O2S
Molecular Weight 368.413
Exact Mass 368.106
No. of atoms 42
No. of bonds 45
Polar Surface Area 104.66
LOGP Value 2.06      (Computed with XLOGP3)
2.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
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): P29597  
Entrez Gene IDNCBI Entrez Gene ID: 7297  
ASDInformation of known allosteric effects of PDB entries
 
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