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Structure paper

TitleEffects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
Journal, issue, pagesJ. Biol. Chem., Vol. 291, Page 22741-22756, Year 2016
Publish dateJul 6, 2016 (structure data deposition date)
AuthorsLiu, Z. / Huang, X. / Hu, L. / Pham, L. / Poole, K.M. / Tang, Y. / Mahon, B.P. / Tang, W. / Li, K. / Goldfarb, N.E. ...Liu, Z. / Huang, X. / Hu, L. / Pham, L. / Poole, K.M. / Tang, Y. / Mahon, B.P. / Tang, W. / Li, K. / Goldfarb, N.E. / Dunn, B.M. / McKenna, R. / Fanucci, G.E.
External linksJ. Biol. Chem. / PubMed:27576689
MethodsX-ray diffraction
Resolution1.6 - 2.4 Å
Structure data

PDB-5kqx:
Protease E35D-SQV
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5kqy:
Protease E35D-DRV
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5kqz:
Protease E35D-CaP2
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5kr0:
Protease E35D-APV
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5kr1:
Protease PR5-DRV
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5kr2:
Protease PR5-SQV
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

Chemicals

ChemComp-ROC:
(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 / medication, antiretroviral*YM

ChemComp-HOH:
WATER

ChemComp-017:
(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE / medication, antiretroviral*YM

ChemComp-0Q4:
N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide

ChemComp-478:
{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER / protease inhibitor, medication*YM

ChemComp-GOL:
GLYCEROL

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HUDROLASE INHIBITOR / HIV-1 protease / E35D / salt-bridge interaction / Natural polymorphism / HYDROLASE-HUDROLASE INHIBITOR complex / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex / HYDROLASE

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