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Related entries of code: 4x6i
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%
3kx1RCSB PDB    PDBbind215aa, >3KX1_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%
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 ID4x6i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCathepsin K
Ligand Name3Y1
EC.Number E.C.3.4.22.38
Resolution 1.87(Å)
Affinity (Kd/Ki/IC50)Ki=10nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 6928-6937
Ligand Properties
Formula C16H19BrN4O2
Molecular Weight 379.252
Exact Mass 378.069
No. of atoms 42
No. of bonds 43
Polar Surface Area 108.01
LOGP Value 2.49      (Computed with XLOGP3)
3.47      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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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