Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
F1Q Ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate
Code : 6GJL
Header : ISOMERASE
Title : Cyclophilin A complexed with tri-vector ligand 10.
Release Data : 2018-11-07
Compound :
mol_id molecule chains synonym
1 Peptidyl-prolyl cis-trans isomerase A A PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A
ec: 5.2.1.8
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: PPIA, CYPA
Authors : Georgiou, C., De Simone, A., Walkinshaw, M.D., Michel, J.
Keywords : Cyclophilins, CypA, inhibitor, PPIase, complex, isomerase
Exp. method : X-RAY DIFFRACTION ( 1.16 Å )
Citation :

A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.

De Simone, A.,Georgiou, C.,Ioannidis, H.  et al.
(2019)  Chem Sci  10 : 542 - 547

PubMed: 30746096
DOI: 10.1039/c8sc03831g

Chain : A
UniProt : P62937 (PPIA_HUMAN)
Reaction : Peptidylproline (omega=180) = peptidylproline (omega=0).