PDBsum entry 2a1e

Hydrolase

PDB id: 2a1e

Contents

Protein chains

99 a.a. *

Ligands

DMS ×5

ACT ×2

IPF

GOL

Metals

_NA

_CL

Waters ×272

* Residue conservation analysis

PDB id:

2a1e

Name:

Hydrolase

Title:

High resolution structure of HIV-1 pr with ts-126

Structure:

Pol polyprotein. Chain: a, b. Fragment: protease. Synonym: HIV-1 protease. Engineered: yes. Mutation: yes. Other_details: ipf: pseudo-esapeptide built up from a di- hydroxyethylene phe-pro isostere core, coupled with 2 equivalents of ac-nh-trp-val-oh.

Source:

Human immunodeficiency virus 1. Organism_taxid: 11676. Gene: gag-pol. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.

Biol. unit:

Dimer (from PQS)

Resolution:

1.30Å R-factor: 0.156 R-free: 0.201

Authors:

N.Demitri,S.Geremia,L.Randaccio,J.Wuerges,F.Benedetti,F.Berti, F.Dinon,P.Campaner,G.Tell

Key ref:

S.Geremia et al. (2006). A potent HIV protease inhibitor identified in an epimeric mixture by high-resolution protein crystallography. Chemmedchem, 1, 186-188. PubMed id: 16892350

Date:

20-Jun-05 Release date: 21-Feb-06

Protein chains

P03367  (POL_HV1BR) -  Gag-Pol polyprotein from Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)

Seq: 1447 a.a.

Struc: 99 a.a.*

* PDB and UniProt seqs differ at 5 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

Chemmedchem 1:186-188 (2006)

PubMed id: 16892350

A potent HIV protease inhibitor identified in an epimeric mixture by high-resolution protein crystallography.

S.Geremia, N.Demitri, J.Wuerges, F.Benedetti, F.Berti, G.Tell, L.Randaccio.

ABSTRACT

No abstract given.