Deposited model

PDB 5U9D|dpdb_p1fiehnv

Deposited model

Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library

Program
REFMAC 5.8.0049
Model type
Deposited
Purpose
Reference
Authors
Cuozzo, J.W., Centrella, P.A., Gikunju, D., Habeshian, S., Hupp, C.D., Keefe, A.D., Sigel, E., Soutter, H.H., Thomson, H.A., Zhang, Y., Clark, M.A.
Atoms
2,842
Residues
271
Protein chains
1
Unmodeled fraction
0%

Evaluations

R-work
0.148
R-free
0.178
Clashscore
2.7

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Tyrosine-protein kinase BTK271
  • ConstructKINASE DOMAIN, UNP residues 423-693

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations