Deposited model

PDB 3ZSX|dpdb_6zg05t1u

Deposited model

Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design

Program
REFMAC 5.2.0019
Model type
Deposited
Purpose
Reference
Authors
Peat, T.S., Newman, J., Rhodes, D.I., Vandergraaff, N., Le, G., Jones, E.D., Smith, J.A., Coates, J.A.V., Thienthong, N., Dolezal, O., Ryan, J.H., Savage, G.P., Francis, C.L., Deadman, J.J.
Atoms
2,709
Residues
298
Protein chains
2
Unmodeled fraction
10.78%

Evaluations

R-work
0.184
R-free
0.228
Clashscore
11.3

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
INTEGRASE167
  • Human immunodeficiency virus12721
  • ConstructCORE CATALYTIC DOMAIN, RESIDUES 56-212
  • MutationsYES

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations