Ensemble refinement model

PDB 7MBO|dpdb_m1ra899g

Ensemble refinement model

FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
213,792
Residues
237
Protein chains
1
Alternate-location fraction
0%
Ligands
NAG, YXG

Evaluations

R-work
0.142
R-free
0.152
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Coagulation factor XIa light chain238
  • MutationC500S

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations