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Ensemble refinement model

PDB 5OM6|dpdb_nvbiumlb

Ensemble refinement model

Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo2: a MMP9-cleavable drug-binding serpin for doxycycline

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
422,396
Residues
752
Protein chains
4
Alternate-location fraction
0%
Ligands
CIT, CL, EDO

Evaluations

R-work
0.170
R-free
0.214
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Alpha-1-antichymotrypsin369
  • ConstructUNP residues 36-383
  • MutationsL24R W194F W215Y E242Q K244N L269S P270Q K274S W276F R277F A349R V355L I357G T358P L359R L360Q
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Alpha-1-antichymotrypsin40
  • ConstructUNP residues 384-423
  • MutationsL24R W194F W215Y E242Q K244N L269S P270Q K274S W276F R277F A349R V355L I357G T358P L359R L360Q

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations