spacer
spacer

PDBsum entry 2rf2

Go to PDB code: 
protein ligands Protein-protein interface(s) links
Transferase PDB id
2rf2

 

 

 

 

Loading ...

 
JSmol PyMol  
Contents
Protein chains
554 a.a. *
405 a.a. *
Ligands
MRX
Waters ×710
* Residue conservation analysis
PDB id:
2rf2
Name: Transferase
Title: HIV reverse transcriptase in complex with inhibitor 7e (nnrti)
Structure: Reverse transcriptase/ribonuclease h (ec 2.7.7.49) (ec 2.7.7.7) (ec 3.1.26.4) (p66 rt). Chain: a. Fragment: HIV-1 reverse transcriptase. Engineered: yes. Reverse transcriptase/ribonuclease h (ec 2.7.7.49) (ec 2.7.7.7) (ec 3.1.26.4) (p66 rt). Chain: b. Fragment: HIV-1 reverse transcriptase.
Source: HIV-1 m:b_hxb2r. Organism_taxid: 11706. Strain: hxb2 isolate. Gene: gag-pol. Expressed in: escherichia coli. Expression_system_taxid: 562. Expression_system_taxid: 562
Resolution:
2.40Å     R-factor:   0.189     R-free:   0.258
Authors: Y.Yan,S.Prasad
Key ref: Z.Zhao et al. (2008). Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs). Bioorg Med Chem Lett, 18, 554-559. PubMed id: 18083561 DOI: 10.1016/j.bmcl.2007.11.085
Date:
27-Sep-07     Release date:   01-Jan-08    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P04585  (POL_HV1H2) -  Gag-Pol polyprotein from Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
1435 a.a.
554 a.a.
Protein chain
Pfam   ArchSchema ?
P04585  (POL_HV1H2) -  Gag-Pol polyprotein from Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
1435 a.a.
405 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class 1: Chains A, B: E.C.2.7.7.-  - ?????
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
   Enzyme class 2: Chains A, B: E.C.2.7.7.49  - RNA-directed Dna polymerase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate
DNA(n)
+ 2'-deoxyribonucleoside 5'-triphosphate
= DNA(n+1)
+ diphosphate
   Enzyme class 3: Chains A, B: E.C.2.7.7.7  - DNA-directed Dna polymerase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate
DNA(n)
+ 2'-deoxyribonucleoside 5'-triphosphate
= DNA(n+1)
+ diphosphate
   Enzyme class 4: Chains A, B: E.C.3.1.-.-
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
   Enzyme class 5: Chains A, B: E.C.3.1.13.2  - exoribonuclease H.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Exonucleolytic cleavage to 5'-phosphomonoester oligonucleotides in both 5'- to 3'- and 3'- to 5'-directions.
   Enzyme class 6: Chains A, B: E.C.3.1.26.13  - retroviral ribonuclease H.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
   Enzyme class 7: Chains A, B: E.C.3.4.23.16  - HIV-1 retropepsin.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      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: 10.1016/j.bmcl.2007.11.085 Bioorg Med Chem Lett 18:554-559 (2008)
PubMed id: 18083561  
 
 
Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs).
Z.Zhao, S.E.Wolkenberg, P.E.Sanderson, M.Lu, V.Munshi, G.Moyer, M.Feng, A.V.Carella, L.T.Ecto, L.J.Gabryelski, M.T.Lai, S.G.Prasad, Y.Yan, G.B.McGaughey, M.D.Miller, C.W.Lindsley, G.D.Hartman, J.P.Vacca, T.M.Williams.
 
  ABSTRACT  
 
This Letter describes the design, synthesis, and biological evaluation of novel 3-indole sulfonamides as potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) with balanced profiles against common HIV RT mutants K103N and Y181C.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21071837 B.Zeng, H.Wang, L.Zou, A.Zhang, X.Yang, and Z.Guan (2010).
Evaluation and target validation of indole derivatives as inhibitors of the AcrAB-TolC efflux pump.
  Biosci Biotechnol Biochem, 74, 2237-2241.  
20484498 H.P.Su, Y.Yan, G.S.Prasad, R.F.Smith, C.L.Daniels, P.D.Abeywickrema, J.C.Reid, H.M.Loughran, M.Kornienko, S.Sharma, J.A.Grobler, B.Xu, V.Sardana, T.J.Allison, P.D.Williams, P.L.Darke, D.J.Hazuda, and S.Munshi (2010).
Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
  J Virol, 84, 7625-7633.
PDB codes: 3lp0 3lp1 3lp2 3lp3
19483339 C.Ramalingan, I.S.Lee, and Y.W.Kwak (2009).
Novel furanylarylene arylsulfonylindolesulfonamides: synthesis and their antibacterial evaluation.
  Chem Pharm Bull (Tokyo), 57, 591-596.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB codes are shown on the right.

 

spacer

spacer