Ensemble refinement model

PDB 4CHY|dpdb_29f12h2v

Ensemble refinement model

Interrogating HIV integrase for compounds that bind- a SAMPL challenge

Program
PHENIX 2.0_5824
Model type
Ensemble
Purpose
Refinement
Atoms
172,420
Residues
296
Protein chains
2
Alternate-location fraction
0%
Ligands
ACY, C5Q, EDO, SO4

Evaluations

R-work
0.193
R-free
0.221
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
INTEGRASE183
  • Human immunodeficiency virus 111676
  • ConstructCATALYTIC DOMAIN, RESIDUES 50-212
  • MutationsYES

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations