Rerefined model

PDB 3D6F|dpdb_48tqbn6q

Rerefined model

Crystal structure of human caspase-1 with a naturally-occurring Arg240->Gln 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
Refinement
Atoms
2,458
Residues
264
Protein chains
3
Alternate-location fraction
1.89%
Ligands
CF0, PHQ

Evaluations

R-work
0.171
R-free
0.212
Clashscore
3.1

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Caspase-1179
  • ConstructCaspase-1 subunit p20
  • MutationR240Q
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Caspase-189
  • ConstructCaspase-1 subunit p10
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