qFit model

PDB 3HD3|dpdb_37yitxet

qFit model

High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
7,492
Residues
429
Protein chains
2
Alternate-location fraction
95.1%
Ligands
25B, EDO, EOH, PEG, SO4

Evaluations

R-work
0.124
R-free
0.168
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Cruzipain215
  • Trypanosoma cruzi5693
  • Constructcruzain mature domain
  • MutationsS49A S172G

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations