Brand  (β version)

PDB ID: 6AHS

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Ligands
Code Name Style Show Link
9YO 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4r)-2-methyl-4,5-dihydro-1h-imidazol-4-yl]-1h-indole PoSSuM
CL Chloride ion PoSSuM
TRS 2-amino-2-hydroxymethyl-propane-1,3-diol PoSSuM
Non-standard Residues
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Structure summary

Code : 6AHS   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Mouse Kallikrein 7 in complex with imidazolinylindole derivative
Release Data : 2019-01-02
Compound :
mol_id molecule chains synonym
1 Kallikrein-7 A Serine protease 6,Stratum corneum chymotryptic enzyme,Thymopsin
ec: 3.4.21.117
Source :
mol_id organism_scientific organism_common expression_system
1 Mus musculus  (taxid:10090) Mouse Escherichia coli  (taxid:562)
gene: Klk7, Prss6, Scce
Authors : Sugawara, H.
Keywords : protease, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.75 Å )
Citation :

Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors.

Murafuji, H.,Muto, T.,Goto, M.  et al.
(2019)  Bioorg. Med. Chem. Lett.  29 : 334 - 338

PubMed: 30522951
DOI: 10.1016/j.bmcl.2018.11.011

Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors.

Murafuji, H.,Sakai, H.,Goto, M.  et al.
(2017)  Bioorg. Med. Chem. Lett.  27 : 5272 - 5276

PubMed: 29102227
DOI: 10.1016/j.bmcl.2017.10.030

Structure-based drug design of 1,3,6-trisubstituted 1,4-diazepan-7-ones as selective human kallikrein 7 inhibitors.

Murafuji, H.,Sakai, H.,Goto, M.  et al.
(2018)  Bioorg. Med. Chem. Lett.  28 : 1371 - 1375

PubMed: 29550094
DOI: 10.1016/j.bmcl.2018.03.011

Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.

Murafuji, H.,Sugawara, H.,Goto, M.  et al.
(2018)  Bioorg. Med. Chem.  26 : 3639 - 3653

PubMed: 29884582
DOI: 10.1016/j.bmc.2018.05.044

Reaction

Chain : A
UniProt : Q91VE3 (KLK7_MOUSE)
Reaction: EC: Evidence:
Physiological Direction:
Cleavage of proteins with aromatic side chains in the P1 position. 3.4.21.117 -
-