Brand  (β version)

PDB ID: 3I8W

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Ligands
Code Name Style Show Link
CB5 Cobalt bis(1,2-dicarbollide) PoSSuM
CL Chloride ion PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3I8W   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of a metallacarborane inhibitor bound to HIV protease
Release Data : 2009-12-01
Compound :
mol_id molecule chains synonym
1 Protease A Retropepsin, PR
ec: 3.4.23.16
mutation: Q7K, L33I, L63I
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus type 1  (taxid:11686) Escherichia coli  (taxid:562)
gene: gag-pol
expression_system_strain: BL21 (DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET
Authors : Rezacova, P.
Keywords : inhibitor, cobalt bis(1, 2-dicarbollide), viral resistance, aspartic protease, AIDS, Aspartyl protease, Capsid maturation, Capsid protein, Cell membrane, DNA integration, DNA recombination, DNA-directed DNA polymerase, Endonuclease, Hydrolase, Lipoprotein, Magnesium, Membrane, Metal-binding, Multifunctional enzyme, Myristate, Nuclease, Nucleotidyltransferase, Nucleus, Phosphoprotein, Protease, RNA-binding, RNA-directed DNA polymerase, Transferase, Viral nucleoprotein, Virion, Zinc-finger, HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 1.70 Å )
Citation :

Design of HIV Protease Inhibitors Based on Inorganic Polyhedral Metallacarboranes

Pokorna, J.,Brynda, J.,Cigler, P.  et al.
(2009)  J.Med.Chem.  52 : 7132 - 7141

PubMed: 19874035
DOI: 10.1021/jm9011388

Reaction

Chain : A
UniProt : P03367 (POL_HV1BR)
Reaction: EC: Evidence:
Physiological Direction:
Specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro. 3.4.23.16 PROSITE-ProRule:PRU00275
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Endohydrolysis of RNA in RNA/DNA hybrids. Three different cleavage modes: 1. sequence-specific internal cleavage of RNA. Human immunodeficiency virus type 1 and Moloney murine leukemia virus enzymes prefer to cleave the RNA strand one nucleotide away from the RNA-DNA junction. 2. RNA 5'-end directed cleavage 13-19 nucleotides from the RNA end. 3. DNA 3'-end directed cleavage 15-20 nucleotides away from the primer terminus. 3.1.26.13 -
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3'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid. 3.1.13.2 -
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a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1) 2.7.7.49 PROSITE- ProRule:PRU00405
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a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1) 2.7.7.7 PROSITE- ProRule:PRU00405
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