Het-PDB Navi2 (PDB: 6GJI)

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Ligands
Code	Name		Style	Show	Link
F1E	Ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate				PoSSuM
GOL	Glycerol				PoSSuM

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Download interaction data: 6GJI

Code :

6GJI PDBj RCSB PDB PDBe

Header :

ISOMERASE

Title :

Cyclophilin A complexed with the tri-vector ligand 8.

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 ( 1.60 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

Chain :

UniProt :

P62937 (PPIA_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
[protein]-peptidylproline (omega=180) = [protein]- peptidylproline (omega=0)	5.2.1.8	PubMed:2001362, PubMed:20676357, PubMed:21245143, PubMed:21593166, PubMed:25678563, PubMed:19207730, PubMed:26095851
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PDB ID: 6GJI