PDBsum entry 4nju

Hydrolase/hydrolase inhibitor

PDB id: 4nju

Contents

Protein chains

99 a.a.

Ligands

TPV ×2

Waters ×375

PDB id:

4nju

Name:

Hydrolase/hydrolase inhibitor

Title:

Crystal structure of multidrug-resistant clinical isolate a02 HIV-1 protease in complex with tipranavir

Structure:

Protease. Chain: a, b, c, d. Engineered: yes

Source:

Human immunodeficiency virus 1. Organism_taxid: 11676. Gene: pol. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.80Å R-factor: 0.186 R-free: 0.221

Authors:

R.S.Yedidi,H.Garimella,J.D.Kaufman,D.Das,P.T.Wingfield,H.Mitsuya

Key ref:

R.S.Yedidi et al. (2014). A conserved hydrogen-bonding network of P2 bis-tetrahydrofuran-containing HIV-1 protease inhibitors (PIs) with a protease active-site amino acid backbone aids in their activity against PI-resistant HIV. Antimicrob Agents Chemother, 58, 3679-3688. PubMed id: 24752271 DOI: 10.1128/AAC.00107-14

Date:

11-Nov-13 Release date: 02-Apr-14

Protein chains

Q9J006  (Q9J006_9HIV1) -  Protease (Fragment) from Human immunodeficiency virus 1

Seq: 99 a.a.

Struc: 99 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.?

DOI no: 10.1128/AAC.00107-14

Antimicrob Agents Chemother 58:3679-3688 (2014)

PubMed id: 24752271

A conserved hydrogen-bonding network of P2 bis-tetrahydrofuran-containing HIV-1 protease inhibitors (PIs) with a protease active-site amino acid backbone aids in their activity against PI-resistant HIV.

R.S.Yedidi, H.Garimella, M.Aoki, H.Aoki-Ogata, D.V.Desai, S.B.Chang, D.A.Davis, W.S.Fyvie, J.D.Kaufman, D.W.Smith, D.Das, P.T.Wingfield, K.Maeda, A.K.Ghosh, H.Mitsuya.

ABSTRACT

No abstract given.