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Related entries of code: 3kx1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1au0RCSB PDB    PDBbind215aa, >1AU0_1|Chain... at 100%
1au2RCSB PDB    PDBbind215aa, >1AU2_1|Chain... at 100%
1ayuRCSB PDB    PDBbind215aa, >1AYU_1|Chain... at 100%
1ayvRCSB PDB    PDBbind215aa, >1AYV_1|Chain... at 100%
1bgoRCSB PDB    PDBbind215aa, >1BGO_1|Chain... at 100%
1memRCSB PDB    PDBbind215aa, >1MEM_1|Chain... at 100%
1nl6RCSB PDB    PDBbind215aa, >1NL6_1|Chains... at 100%
1nljRCSB PDB    PDBbind215aa, >1NLJ_1|Chains... at 100%
1q6kRCSB PDB    PDBbind215aa, >1Q6K_1|Chain... at 100%
1snkRCSB PDB    PDBbind214aa, >1SNK_1|Chain... at 100%
1tu6RCSB PDB    PDBbind215aa, >1TU6_1|Chains... at 100%
1u9vRCSB PDB    PDBbind217aa, >1U9V_1|Chain... *
1u9wRCSB PDB    PDBbind217aa, >1U9W_1|Chain... at 100%
1u9xRCSB PDB    PDBbind217aa, >1U9X_1|Chain... at 100%
1vsnRCSB PDB    PDBbind215aa, >1VSN_1|Chain... at 93%
1yk7RCSB PDB    PDBbind215aa, >1YK7_1|Chain... at 100%
1yt7RCSB PDB    PDBbind215aa, >1YT7_1|Chain... at 100%
2auxRCSB PDB    PDBbind215aa, >2AUX_1|Chain... at 100%
2auzRCSB PDB    PDBbind215aa, >2AUZ_1|Chain... at 100%
2bdlRCSB PDB    PDBbind215aa, >2BDL_1|Chain... at 100%
2ftdRCSB PDB    PDBbind215aa, >2FTD_1|Chains... at 100%
2r6nRCSB PDB    PDBbind217aa, >2R6N_1|Chain... at 100%
3c9eRCSB PDB    PDBbind215aa, >3C9E_1|Chain... at 100%
3kw9RCSB PDB    PDBbind215aa, >3KW9_1|Chain... at 100%
3kwbRCSB PDB    PDBbind215aa, >3KWB_1|Chains... at 100%
3kwzRCSB PDB    PDBbind215aa, >3KWZ_1|Chain... at 100%
3o0uRCSB PDB    PDBbind215aa, >3O0U_1|Chain... at 100%
3o1gRCSB PDB    PDBbind215aa, >3O1G_1|Chain... at 100%
3ovzRCSB PDB    PDBbind213aa, >3OVZ_1|Chain... at 100%
4dmyRCSB PDB    PDBbind215aa, >4DMY_1|Chains... at 100%
4x6hRCSB PDB    PDBbind215aa, >4X6H_1|Chain... at 100%
4x6iRCSB PDB    PDBbind215aa, >4X6I_1|Chain... at 100%
4x6jRCSB PDB    PDBbind215aa, >4X6J_1|Chain... at 100%
4yv8RCSB PDB    PDBbind215aa, >4YV8_1|Chain... at 100%
5tdiRCSB PDB    PDBbind215aa, >5TDI_1|Chain... at 99%
6hgyRCSB PDB    PDBbind215aa, >6HGY_1|Chain... 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 ID3kx1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecathepsin K
Ligand NameKX1
EC.Number E.C.3.4.22.38
Resolution 1.51(Å)
Affinity (Kd/Ki/IC50)IC50=100nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20, 1524-1527
Ligand Properties
Formula C20H33N4
Molecular Weight 329.503
Exact Mass 329.271
No. of atoms 57
No. of bonds 59
Polar Surface Area 54.07
LOGP Value 4.37      (Computed with XLOGP3)
4.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
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): P43235  
Entrez Gene IDNCBI Entrez Gene ID: 1513  
ASDInformation of known allosteric effects of PDB entries
 
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