PDBsum entry 8f0f

Hydrolase/inhibitor

PDB id: 8f0f

Contents

Protein chains

99 a.a.

Ligands

GOL

X7H

Metals

_CL ×3

_NA

Waters ×227

PDB id:

8f0f

Name:

Hydrolase/inhibitor

Title:

HIV-1 wild type protease with grl-110-19a, a chloroacetamide derivative based on darunavir as p2' group

Structure:

Protease. Chain: a, b. Engineered: yes. Mutation: yes

Source:

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

Resolution:

1.29Å R-factor: 0.133 R-free: 0.163

Authors:

Y.-F.Wang,J.Agniswamy,A.K.Ghosh,I.T.Weber

Key ref:

A.K.Ghosh et al. Evaluation of darunavir-Derived HIV-1 protease inhibi incorporating p2' Amide-Derivatives: synthesis, Biolo evaluation and structural studies.. Bioorg med chem lett, . PubMed id: 36738797

Date:

02-Nov-22 Release date: 15-Feb-23

Protein chains

P04585  (POL_HV1H2) -  Gag-Pol polyprotein from Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)

Seq: 1435 a.a.

Struc: 99 a.a.*

* PDB and UniProt seqs differ at 6 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