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Deposited model

PDB 3AO2|dpdb_wnvqbkdn

Deposited model

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

Program
REFMAC 5.2.0019
Model type
Deposited
Purpose
Reference
Authors
Wielens, J., Chalmers, D.K., Headey, S.J., Parker, M.W., Scanlon, M.J.
Atoms
2,287
Residues
272
Protein chains
2
Unmodeled fraction
16.56%
Ligands
CD, MG

Evaluations

R-work
0.187
R-free
0.217
Clashscore
4.9

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