6LRL
Human cGAS catalytic domain bound with compound s2
Summary for 6LRL
| Entry DOI | 10.2210/pdb6lrl/pdb |
| Descriptor | Cyclic GMP-AMP synthase, ZINC ION, 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid (3 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 | 85948.60 |
| 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 (2.655 Å) |
Structure validation
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