Ensemble refinement model

PDB 7SIA|dpdb_s4c1n2g9

Ensemble refinement model

HIV Integrase core domain in complex with inhibitor 2-[2-(2-{3-[(4-{2-[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)formamido]ethyl}piperazin-1-yl)methyl]phenyl}ethynyl)-5-methyl-1-benzofuran-3-yl]acetic acid

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
92,895
Residues
280
Protein chains
2
Alternate-location fraction
0%
Ligands
9I4, IOD, SO4

Evaluations

R-work
0.244
R-free
0.303
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Integrase161
  • Human immunodeficiency virus 111676
  • Constructcore domain (UNP residues 50-212)

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations