6LRI

Human cGAS catalytic domain bound with compound 17

Summary for 6LRI

Entry DOI	10.2210/pdb6lri/pdb
Descriptor	Cyclic GMP-AMP synthase, 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic 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	86281.90
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: 32459092 DOI: 10.1021/acs.jcim.0c00171 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation