qFit model

PDB 3D6M|dpdb_4uv284x9

qFit model

Crystal structure of human caspase-1 with a naturally-occurring Lys319->Arg substitution 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
2,666
Residues
264
Protein chains
3
Alternate-location fraction
14.02%
Ligands
CF0, PHQ

Evaluations

R-work
0.169
R-free
0.206
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Caspase-1179
  • ConstructCASP1 p20
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Caspase-189
  • ConstructCASP1 p10
  • MutationK319R
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