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Ensemble refinement model

PDB 4CJ4|dpdb_fl9wc98a

Ensemble refinement model

Interrogating HIV integrase for compounds that bind- a SAMPL challenge

Program
PHENIX 2.0_5824
Model type
Ensemble
Purpose
Refinement
Atoms
169,222
Residues
296
Protein chains
2
Alternate-location fraction
0%
Ligands
ACT, CL, S3G, SO4

Evaluations

R-work
0.177
R-free
0.217
Clashscore
—

Macromolecules

The same in every model of this entry.

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

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations