qFit model

PDB 4MDS|dpdb_cwv383or

qFit model

Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: identification of ML300 and non-covalent nanomolar inhibitors with an induced-fit binding

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
4,703
Residues
303
Protein chains
1
Alternate-location fraction
80.86%
Ligands
23H, DMS

Evaluations

R-work
0.170
R-free
0.210
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
3C-like proteinase303
  • Severe acute respiratory syndrome-related coronavirus694009
  • ConstructUNP residues 3241-3542

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations