6LRJ
Human cGAS catalytic domain bound with compound 23
Summary for 6LRJ
Entry DOI | 10.2210/pdb6lrj/pdb |
Descriptor | Cyclic GMP-AMP synthase, 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, ZINC ION, ... (4 entities in total) |
Functional Keywords | cgas, inhibitor, complex structure, dna binding protein |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 86277.96 |
Authors | Zhao, W.F.,Xiong, M.Y.,Yuan, X.J.,Sun, H.B.,Xu, Y.C. (deposition date: 2020-01-16, release date: 2020-06-24, Last modification date: 2023-11-29) |
Primary citation | Zhao, W.,Xiong, M.,Yuan, X.,Li, M.,Sun, H.,Xu, Y. In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60:3265-3276, 2020 Cited by PubMed: 32459092DOI: 10.1021/acs.jcim.0c00171 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3 Å) |
Structure validation
Download full validation report