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Related entries of code: 6skb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4d8nRCSB PDB    PDBbind223aa, >4D8N_1|Chain... at 98%
6qhcRCSB PDB    PDBbind223aa, >6QHC_1|Chains... at 98%
6qhbRCSB PDB    PDBbind223aa, >6QHB_1|Chains... at 98%
6qhaRCSB PDB    PDBbind223aa, >6QHA_1|Chains... at 98%
6qh9RCSB PDB    PDBbind223aa, >6QH9_1|Chains... at 98%
6qfhRCSB PDB    PDBbind222aa, >6QFH_1|Chains... at 100%
6qfgRCSB PDB    PDBbind223aa, >6QFG_1|Chains... at 99%
6qffRCSB PDB    PDBbind222aa, >6QFF_1|Chains... at 98%
6skcRCSB PDB    PDBbind223aa, >6SKC_1|Chains... at 99%
6skdRCSB PDB    PDBbind223aa, >6SKD_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 ID6skb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Kallikrein 6 (N217D/I218Y/K224R)
Ligand NameLH5
EC.Number E.C.-.-.-.-
Resolution 1.84(Å)
Affinity (Kd/Ki/IC50)IC50=19.9nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Bioorg.Med.Chem.Lett. Vol. 29: pp. 126675-126675
Ligand Properties
Formula C21H22BN3O3
Molecular Weight 375.229
Exact Mass 375.175
No. of atoms 50
No. of bonds 53
Polar Surface Area 92.19
LOGP Value 4.11      (Computed with XLOGP3)
0.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): Q92876  
Entrez Gene IDNCBI Entrez Gene ID: 5653  
ASDInformation of known allosteric effects of PDB entries

 
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