qFit model

PDB 3ZT3|dpdb_78z1c7rv

qFit model

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

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
2,813
Residues
297
Protein chains
2
Alternate-location fraction
8.42%
Ligands
ACY, EDO, SO4, ZT4

Evaluations

R-work
0.150
R-free
0.193
Clashscore
—

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