qFit model

PDB 2H4Y|dpdb_gdr7xgtr

qFit model

Crystal structure of human caspase-1 (Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
2,717
Residues
253
Protein chains
3
Alternate-location fraction
20.16%
Ligands
CF0, PHQ

Evaluations

R-work
0.174
R-free
0.223
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Caspase-1178
  • Constructp20 subunit, residues 120-297
  • MutationR286K
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Caspase-188
  • Constructp10 subunit, residues 317-404
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide5———

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations