Browse entries in the PDBbind-CN Database

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Related entries of code: 6qff
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%
6skbRCSB PDB    PDBbind289aa, >6SKB_1|Chains... *
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
6qfhRCSB PDB    PDBbindJ08
6qfgRCSB PDB    PDBbindJ08
6qfeRCSB PDB    PDBbindJ08
Entry Information
PDB ID6qff
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Kallikrein 6
Ligand NameJ08
EC.Number E.C.3.4.21
Resolution 1.64(Å)
Affinity (Kd/Ki/IC50)IC50=2.04uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acta Crystallogr.,Sect.F Vol. 75: pp. 385-391
Ligand Properties
Formula C23H23N6O
Molecular Weight 399.468
Exact Mass 399.193
No. of atoms 53
No. of bonds 56
Polar Surface Area 114.44
LOGP Value 4.42      (Computed with XLOGP3)
2.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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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