Brand  (β version)

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Ligands
Code Name Style Show Link
C2K (3~{S})-~{N}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide
EDO 1,2-ethanediol
Non-standard Residues
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CSX S-oxy cysteine
Glycosylation
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Modification
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Code : 6EX8   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor
Release Data : 2018-04-11
Compound :
mol_id molecule chains
1 Cysteine protease A,B
mutation: S172A
other_details: cathepsin L-like cysteine protease with a reversible oxidation (sulfenic acid) at its active-site cysteine (Cys25)
Source :
mol_id organism_scientific expression_system
1 Trypanosoma brucei rhodesiense  (taxid:31286) Komagataella pastoris  (taxid:4922)
gene: rhodesain
expression_system_strain: X-33
expression_system_vector_type: genomically integrated plasmid
expression_system_plasmid: pPICzAlphaB
Authors : Dietzel, U., Kisker, C.
Keywords : Cysteine Protease, Papain-like Protease, Cathepsin L-like Protease, Endopeptidase, Hydrolase
Exp. method : X-RAY DIFFRACTION ( 1.6000 Å )
Citation :

Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.

Giroud, M.,Dietzel, U.,Anselm, L.  et al.
(2018)  J. Med. Chem.  61 : 3350 - 3369

PubMed: 29590750
DOI: 10.1021/acs.jmedchem.7b01869

Chain : A, B
UniProt : Q95PM0 (Q95PM0_TRYBR)
Reaction : -