Browse entries in the PDBbind-CN Database

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Related entries of code: 4e4n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3eygRCSB PDB    PDBbind290aa, >3EYG_1|Chain... at 100%
3eyhRCSB PDB    PDBbind290aa, >3EYH_1|Chain... at 100%
4e4lRCSB PDB    PDBbind302aa, >4E4L_1|Chains... at 99%
4e5wRCSB PDB    PDBbind302aa, >4E5W_1|Chains... at 99%
4ehzRCSB PDB    PDBbind302aa, >4EHZ_1|Chains... at 99%
4ei4RCSB PDB    PDBbind302aa, >4EI4_1|Chains... at 99%
4fk6RCSB PDB    PDBbind302aa, >4FK6_1|Chains... at 99%
4i5cRCSB PDB    PDBbind302aa, >4I5C_1|Chains... at 99%
4ivbRCSB PDB    PDBbind302aa, >4IVB_1|Chains... at 99%
4ivcRCSB PDB    PDBbind302aa, >4IVC_1|Chains... at 99%
4ivdRCSB PDB    PDBbind302aa, >4IVD_1|Chains... at 99%
4k6zRCSB PDB    PDBbind302aa, >4K6Z_1|Chain... at 99%
4k77RCSB PDB    PDBbind302aa, >4K77_1|Chains... at 99%
5e1eRCSB PDB    PDBbind290aa, >5E1E_1|Chains... at 100%
5hx8RCSB PDB    PDBbind302aa, >5HX8_1|Chains... at 99%
5khxRCSB PDB    PDBbind316aa, >5KHX_1|Chain... *
5wo4RCSB PDB    PDBbind302aa, >5WO4_1|Chains... at 99%
6aahRCSB PDB    PDBbind290aa, >6AAH_1|Chains... at 100%
6bbuRCSB PDB    PDBbind316aa, >6BBU_1|Chain... at 100%
6n7dRCSB PDB    PDBbind302aa, >6N7D_1|Chain... at 99%
6n7cRCSB PDB    PDBbind302aa, >6N7C_1|Chains... at 99%
6n7bRCSB PDB    PDBbind302aa, >6N7B_1|Chain... at 99%
6n7aRCSB PDB    PDBbind304aa, >6N7A_1|Chains... at 99%
6n79RCSB PDB    PDBbind302aa, >6N79_1|Chain... at 99%
6n78RCSB PDB    PDBbind302aa, >6N78_1|Chain... at 99%
6n77RCSB PDB    PDBbind302aa, >6N77_1|Chains... at 99%
6hzuRCSB PDB    PDBbind302aa, >6HZU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4e4n
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameTyrosine-protein kinase JAK1
Ligand Name0NL
EC.Number E.C.2.7.10.2
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=0.9nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 5901-5921
Ligand Properties
Formula C18H23N5O2
Molecular Weight 341.408
Exact Mass 341.185
No. of atoms 48
No. of bonds 51
Polar Surface Area 84.83
LOGP Value 2.41      (Computed with XLOGP3)
3.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P23458  
Entrez Gene IDNCBI Entrez Gene ID: 3716  
ASDInformation of known allosteric effects of PDB entries
 
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