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Ensemble refinement model

PDB 6WC8|dpdb_x5urxs2a

Ensemble refinement model

HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid

Program
PHENIX 2.0_5824
Model type
Ensemble
Purpose
Refinement
Atoms
77,082
Residues
138
Protein chains
1
Alternate-location fraction
0%
Ligands
IOD, SO4, TQM

Evaluations

R-work
0.241
R-free
0.293
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Integrase165
  • Human immunodeficiency virus 111676
  • ConstructUNP residues 50-212
  • MutationsQ53E C56S G124S A125T W131E V151I F185K Q209E

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations