Deposited model
PDB 7AY7|dpdb_i3sa4zqs
Deposited model
Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin
- Program
- REFMAC 1.17.1_3660
- Model type
- Deposited
- Purpose
- Reference
- Authors
- Guenther, S., Reinke, P.Y.A., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Lane, T.J., Dunkel, I., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.
- Atoms
- 2,940
- Residues
- 306
- Protein chains
- 1
- Unmodeled fraction
- 0%
- Ligand
- S8T
Evaluations
R-work
0.166
R-free
0.195
Clashscore
5.7
Macromolecules
The same in every model of this entry.
Data
L0 Raw
L1 Processed
L2 Models
L3 Evaluations