Browse entries in the PDBbind-CN Database

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Related entries of code: 4gj3
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%
4py1RCSB PDB    PDBbind318aa, >4PY1_1|Chain... *
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 ID4gj3
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameNon-receptor tyrosine-protein kinase TYK2 (C936A,Q969A,E971A,K972A,D1023N,C1142A mutation)
Ligand Name0XP
EC.Number E.C.2.7.10.2
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=1.4nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 4521-4536
Ligand Properties
Formula C17H11Cl2FN4O2
Molecular Weight 393.199
Exact Mass 392.024
No. of atoms 37
No. of bonds 39
Polar Surface Area 94.88
LOGP Value 2.68      (Computed with XLOGP3)
3.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): P29597  
Entrez Gene IDNCBI Entrez Gene ID: 7297  
ASDInformation of known allosteric effects of PDB entries
 
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