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qFit model

PDB 3AO2|dpdb_wnvqbkdn

qFit model

Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
2,741
Residues
272
Protein chains
2
Alternate-location fraction
15.81%
Ligands
AVX, CD, CL, DTT, DTV, MG, SO4

Evaluations

R-work
0.165
R-free
0.200
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
POL polyprotein163
  • Human immunodeficiency virus 111676
  • ConstructIntegrase CATALYTIC CORE DOMAIN, UNP residues 765-927
  • MutationsC56S S123G T124A K127R W131D F139D F185H

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations