Deposited model

PDB 4FCR|dpdb_ivbxzg0n

Deposited model

Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization

Program
REFMAC 5.1.24
Model type
Deposited
Purpose
Reference
Authors
Davies, N.G., Browne, H., Davis, B., Foloppe, N., Geoffrey, S., Gibbons, B., Hart, T., Drysdale, M.J., Mansell, H., Massey, A., Matassova, N., Moore, J.D., Murray, J., Pratt, R., Ray, S., Roughley, S.D., Jensen, M.R., Schoepfer, J., Scriven, K., Simmonite, H., Stokes, S., Surgenor, A., Webb, P., Wright, L., Brough, P.
Atoms
2,008
Residues
207
Protein chains
1
Unmodeled fraction
12.29%

Evaluations

R-work
0.184
R-free
0.243
Clashscore
3.9

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Heat shock protein HSP 90-alpha236—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations