Browse entries in the PDBbind-CN Database

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Related entries of code: 3krr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2b7aRCSB PDB    PDBbind293aa, >2B7A_1|Chains... at 100%
2w1iRCSB PDB    PDBbind326aa, >2W1I_1|Chains... *
2xa4RCSB PDB    PDBbind298aa, >2XA4_1|Chains... at 98%
3e62RCSB PDB    PDBbind293aa, >3E62_1|Chain... at 99%
3e63RCSB PDB    PDBbind293aa, >3E63_1|Chain... at 99%
3e64RCSB PDB    PDBbind293aa, >3E64_1|Chain... at 99%
3fupRCSB PDB    PDBbind293aa, >3FUP_1|Chains... at 100%
3io7RCSB PDB    PDBbind313aa, >3IO7_1|Chain... at 95%
3iokRCSB PDB    PDBbind313aa, >3IOK_1|Chain... at 95%
3jy9RCSB PDB    PDBbind311aa, >3JY9_1|Chain... at 95%
3kckRCSB PDB    PDBbind313aa, >3KCK_1|Chain... at 95%
3lpbRCSB PDB    PDBbind295aa, >3LPB_1|Chains... at 98%
3q32RCSB PDB    PDBbind301aa, >3Q32_1|Chains... at 97%
3rvgRCSB PDB    PDBbind303aa, >3RVG_1|Chain... at 98%
3tjcRCSB PDB    PDBbind298aa, >3TJC_1|Chains... at 98%
3tjdRCSB PDB    PDBbind298aa, >3TJD_1|Chains... at 98%
3ugcRCSB PDB    PDBbind295aa, >3UGC_1|Chain... at 98%
3zmmRCSB PDB    PDBbind298aa, >3ZMM_1|Chains... at 99%
4aqcRCSB PDB    PDBbind301aa, >4AQC_1|Chains... at 99%
4bbeRCSB PDB    PDBbind298aa, >4BBE_1|Chains... at 97%
4bbfRCSB PDB    PDBbind298aa, >4BBF_1|Chains... at 97%
4c61RCSB PDB    PDBbind298aa, >4C61_1|Chains... at 99%
4d0wRCSB PDB    PDBbind298aa, >4D0W_1|Chain... at 99%
4d0xRCSB PDB    PDBbind298aa, >4D0X_1|Chain... at 99%
4d1sRCSB PDB    PDBbind298aa, >4D1S_1|Chain... at 99%
4e6dRCSB PDB    PDBbind298aa, >4E6D_1|Chains... at 98%
4e6qRCSB PDB    PDBbind298aa, >4E6Q_1|Chains... at 98%
4f08RCSB PDB    PDBbind302aa, >4F08_1|Chains... at 98%
4f09RCSB PDB    PDBbind302aa, >4F09_1|Chain... at 98%
4gfmRCSB PDB    PDBbind302aa, >4GFM_1|Chain... at 98%
4gmyRCSB PDB    PDBbind302aa, >4GMY_1|Chain... at 98%
4hgeRCSB PDB    PDBbind300aa, >4HGE_1|Chains... at 99%
4ivaRCSB PDB    PDBbind300aa, >4IVA_1|Chain... at 99%
4jiaRCSB PDB    PDBbind300aa, >4JIA_1|Chain... at 99%
4p7eRCSB PDB    PDBbind293aa, >4P7E_1|Chains... at 100%
4ytcRCSB PDB    PDBbind296aa, >4YTC_1|Chain... at 97%
4ytfRCSB PDB    PDBbind296aa, >4YTF_1|Chain... at 97%
4ythRCSB PDB    PDBbind296aa, >4YTH_1|Chain... at 97%
4ytiRCSB PDB    PDBbind296aa, >4YTI_1|Chain... at 97%
4zimRCSB PDB    PDBbind321aa, >4ZIM_1|Chains... at 93%
5aepRCSB PDB    PDBbind298aa, >5AEP_1|Chain... at 99%
5cf4RCSB PDB    PDBbind321aa, >5CF4_1|Chains... at 93%
5cf5RCSB PDB    PDBbind321aa, >5CF5_1|Chains... at 93%
5cf6RCSB PDB    PDBbind321aa, >5CF6_1|Chains... at 93%
5cf8RCSB PDB    PDBbind301aa, >5CF8_1|Chains... at 97%
5l3aRCSB PDB    PDBbind295aa, >5L3A_1|Chain... at 98%
5tq3RCSB PDB    PDBbind304aa, >5TQ3_1|Chains... at 97%
5tq4RCSB PDB    PDBbind298aa, >5TQ4_1|Chain... at 98%
5tq5RCSB PDB    PDBbind298aa, >5TQ5_1|Chain... at 98%
5tq6RCSB PDB    PDBbind304aa, >5TQ6_1|Chains... at 98%
5tq7RCSB PDB    PDBbind304aa, >5TQ7_1|Chains... at 97%
5tq8RCSB PDB    PDBbind298aa, >5TQ8_1|Chain... at 98%
5usyRCSB PDB    PDBbind316aa, >5USY_1|Chains... at 99%
5wevRCSB PDB    PDBbind319aa, >5WEV_1|Chain... at 96%
6aajRCSB PDB    PDBbind299aa, >6AAJ_1|Chains... at 98%
6bbvRCSB PDB    PDBbind298aa, >6BBV_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ut4RCSB PDB    PDBbindDQX
Entry Information
PDB ID3krr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase JAK2
Ligand NameDQX
EC.Number E.C.2.7.10.2
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.48nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Mol.Cancer Ther. Vol. 9: pp. 1945-1955
Ligand Properties
Formula C27H30F2N6O
Molecular Weight 492.564
Exact Mass 492.245
No. of atoms 66
No. of bonds 71
Polar Surface Area 73.88
LOGP Value 2.50      (Computed with XLOGP3)
4.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
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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