Brand  (β version)

PDB ID: 3QBF

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Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
GOL Glycerol PoSSuM
JHG 4-{(3-phenylpropyl)[(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3QBF   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor
Release Data : 2012-01-18
Compound :
mol_id molecule chains synonym
1 Protease A,B PR, Retropepsin
ec: 3.4.23.16
mutation: Q7K, L33I, L63I
Source :
mol_id organism_scientific organism_common expression_system
1 Human immunodeficiency virus type 1 (BRU ISOLATE)  (taxid:11686) HIV-1 Escherichia coli  (taxid:562)
expression_system_vector_type: plasmid
expression_system_plasmid: pET24a
Authors : Lindemann, I., Heine, A., Klebe, G.
Keywords : Aspartyl Protease, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.450 Å )
Citation :

Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease

Lindemann, I.,Klee, N.,Heine, A.  et al.
To be Published 

Reaction

Chain : A, B
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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