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Related entries of code: 5kup
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3genRCSB PDB    PDBbind283aa, >3GEN_1|Chain... at 96%
3k54RCSB PDB    PDBbind283aa, >3K54_1|Chain... at 96%
3octRCSB PDB    PDBbind265aa, >3OCT_1|Chain... at 99%
3pixRCSB PDB    PDBbind274aa, >3PIX_1|Chain... at 100%
3piyRCSB PDB    PDBbind274aa, >3PIY_1|Chain... at 100%
3pizRCSB PDB    PDBbind274aa, >3PIZ_1|Chain... at 100%
3pj1RCSB PDB    PDBbind274aa, >3PJ1_1|Chain... at 100%
3pj2RCSB PDB    PDBbind274aa, >3PJ2_1|Chain... at 100%
3pj3RCSB PDB    PDBbind274aa, >3PJ3_1|Chain... at 100%
4nwmRCSB PDB    PDBbind263aa, >4NWM_1|Chains... at 99%
4ot6RCSB PDB    PDBbind283aa, >4OT6_1|Chain... at 95%
4otfRCSB PDB    PDBbind271aa, >4OTF_1|Chain... at 97%
4rfyRCSB PDB    PDBbind283aa, >4RFY_1|Chain... at 95%
4rfzRCSB PDB    PDBbind283aa, >4RFZ_1|Chain... at 95%
4rg0RCSB PDB    PDBbind283aa, >4RG0_1|Chain... at 95%
4rx5RCSB PDB    PDBbind271aa, >4RX5_1|Chain... at 97%
4yhfRCSB PDB    PDBbind278aa, >4YHF_1|Chains... at 98%
4z3vRCSB PDB    PDBbind283aa, >4Z3V_1|Chain... at 96%
4zlyRCSB PDB    PDBbind270aa, >4ZLY_1|Chain... at 100%
4zlzRCSB PDB    PDBbind270aa, >4ZLZ_1|Chain... at 100%
5bq0RCSB PDB    PDBbind283aa, >5BQ0_1|Chain... at 96%
5fbnRCSB PDB    PDBbind271aa, >5FBN_1|Chains... at 100%
5fboRCSB PDB    PDBbind271aa, >5FBO_1|Chain... at 100%
5j87RCSB PDB    PDBbind274aa, >5J87_1|Chains... at 99%
5jrsRCSB PDB    PDBbind267aa, >5JRS_1|Chains... at 99%
5t18RCSB PDB    PDBbind267aa, >5T18_1|Chain... at 99%
5u9dRCSB PDB    PDBbind271aa, >5U9D_1|Chain... at 100%
5vgoRCSB PDB    PDBbind271aa, >5VGO_1|Chain... at 97%
5xyzRCSB PDB    PDBbind265aa, >5XYZ_1|Chains... at 99%
5zz4RCSB PDB    PDBbind268aa, >5ZZ4_1|Chains... at 98%
6di0RCSB PDB    PDBbind271aa, >6DI0_1|Chain... at 100%
6di1RCSB PDB    PDBbind271aa, >6DI1_1|Chain... at 100%
6e4fRCSB PDB    PDBbind290aa, >6E4F_1|Chain... *
6o8iRCSB PDB    PDBbind269aa, >6O8I_1|Chain... at 100%
6nzmRCSB PDB    PDBbind280aa, >6NZM_1|Chains... at 97%
6nfiRCSB PDB    PDBbind268aa, >6NFI_1|Chain... at 100%
6nfhRCSB PDB    PDBbind271aa, >6NFH_1|Chain... at 100%
6n9pRCSB PDB    PDBbind271aa, >6N9P_1|Chain... at 100%
6mnyRCSB PDB    PDBbind276aa, >6MNY_1|Chains... at 97%
6j6mRCSB PDB    PDBbind269aa, >6J6M_1|Chain... at 99%
6hrtRCSB PDB    PDBbind283aa, >6HRT_1|Chain... at 95%
6hrpRCSB PDB    PDBbind283aa, >6HRP_1|Chain... at 95%
6ep9RCSB PDB    PDBbind283aa, >6EP9_1|Chain... at 95%
6blnRCSB PDB    PDBbind287aa, >6BLN_1|Chain... at 92%
6bkwRCSB PDB    PDBbind287aa, >6BKW_1|Chain... at 92%
6bikRCSB PDB    PDBbind287aa, >6BIK_1|Chain... at 92%
6omuRCSB PDB    PDBbind271aa, >6OMU_1|Chain... at 100%
6bkhRCSB PDB    PDBbind287aa, >6BKH_1|Chain... at 92%
6bkeRCSB PDB    PDBbind287aa, >6BKE_1|Chain... at 92%
6s90RCSB PDB    PDBbind266aa, >6S90_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5kup
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBruton's tyrosine kinase (BTK)
Ligand Name6XL
EC.Number E.C.2.7.10.2
Resolution 1.39(Å)
Affinity (Kd/Ki/IC50)IC50=7.2nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Chem.Biol. Vol. 11: pp. 2897-2907
Ligand Properties
Formula C28H28FN7O3
Molecular Weight 529.565
Exact Mass 529.224
No. of atoms 67
No. of bonds 71
Polar Surface Area 126.13
LOGP Value 2.33      (Computed with XLOGP3)
2.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): Q06187  
Entrez Gene IDNCBI Entrez Gene ID: 695  
ASDInformation of known allosteric effects of PDB entries
 
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