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Ensemble refinement model

PDB 5OM2|dpdb_aku1pktj

Ensemble refinement model

Crystal structure of Alpha1-antichymotrypsin variant DBS-I1: a drug-binding serpin for doxycycline

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
214,176
Residues
369
Protein chains
2
Alternate-location fraction
0%
Ligands
DXT, EDO

Evaluations

R-work
0.170
R-free
0.200
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Alpha-1-antichymotrypsin369
  • MutationsL24R W194F W215Y E242Q K244N L269S P270Q K274A W276F R277F V355L K356E I357V T358L L359F L360Q S361G A362P P382D T383H D384F Q386W N387S
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Alpha-1-antichymotrypsin40
  • MutationsL24R W194F W215Y E242Q K244N L269S P270Q K274A W276F R277F V355L K356E I357V T358L L359F L360Q S361G A362P P382D T383H D384F Q386W N387S

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations