PDBsum entry 3el4

Hydrolase/hydrolase inhibitor

PDB id: 3el4

Contents

Protein chains

99 a.a. *

Ligands

ROC

ACT ×2

Waters ×93

* Residue conservation analysis

PDB id:

3el4

Name:

Hydrolase/hydrolase inhibitor

Title:

Crystal structure of inhibitor saquinavir (sqv) complexed with the multidrug HIV-1 protease variant l63p/v82t/i84v

Structure:

Protease. Chain: a, b. Fragment: unp residues 491-589. Synonym: retropepsin, pr. Engineered: yes. Mutation: yes

Source:

HIV-1 m:b_arv2/sf2. HIV-1. Organism_taxid: 11685. Strain: hxb2. Gene: gag-pol. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.00Å R-factor: 0.190 R-free: 0.223

Authors:

M.Prabu-Jeyabalan,N.King,C.Schiffer

Key ref:

N.M.King et al. (2012). Extreme entropy-enthalpy compensation in a drug-resistant variant of HIV-1 protease. Acs Chem Biol, 7, 1536-1546. PubMed id: 22712830 DOI: 10.1021/cb300191k

Date:

19-Sep-08 Release date: 01-Sep-09

Protein chains

P03369  (POL_HV1A2) -  Gag-Pol polyprotein from Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)

Seq: 1437 a.a.

Struc: 99 a.a.*

* PDB and UniProt seqs differ at 4 residue positions (black crosses)

Enzyme reactions

• Enzyme class 1: E.C.2.7.7.- - ?????
• Enzyme class 2: E.C.2.7.7.49 - RNA-directed Dna polymerase.
• Reaction: DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate
• Enzyme class 3: E.C.2.7.7.7 - DNA-directed Dna polymerase.
• Reaction: DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate
• Enzyme class 4: E.C.3.1.-.-
• Enzyme class 5: E.C.3.1.13.2 - exoribonuclease H.
• Reaction: Exonucleolytic cleavage to 5'-phosphomonoester oligonucleotides in both 5'- to 3'- and 3'- to 5'-directions.
• Enzyme class 6: E.C.3.1.26.13 - retroviral ribonuclease H.
• Enzyme class 7: E.C.3.4.23.16 - HIV-1 retropepsin.
• Reaction: Specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro.

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1021/cb300191k

Acs Chem Biol 7:1536-1546 (2012)

PubMed id: 22712830

Extreme entropy-enthalpy compensation in a drug-resistant variant of HIV-1 protease.

N.M.King, M.Prabu-Jeyabalan, R.M.Bandaranayake, M.N.Nalam, E.A.Nalivaika, A.Özen, T.Haliloğlu, N.K.Yilmaz, C.A.Schiffer.

ABSTRACT

No abstract given.