Brand  (β version)

PDB ID: 2QCI

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Ligands
Code Name Style Show Link
065 (3r,3as,6ar)-hexahydrofuro[2,3-B]furan-3-yl(2s,3r)-3-hydroxy-4-(N-isobutylbenzo[D][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate PoSSuM
ACT Acetate ion PoSSuM
CL Chloride ion PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 2QCI   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : HIV-1 Protease mutant D30N with potent Antiviral inhibitor GRL-98065
Release Data : 2008-04-22
Compound :
mol_id molecule chains
1 Protease A,B
ec: 3.4.23.16
mutation: Q7K, L33I, L63I, C67A, C95A, D30N
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli BL21(DE3)  (taxid:469008)
expression_system_strain: BL21 (DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET11a
Authors : Wang, Y.F., Tie, Y., Boross, P.I., Tozser, J., Ghosh, A.K., Harrison, R.W., Weber, I.T.
Keywords : HIV-1, mutant D30N, protease inhibitor, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.20 Å )
Citation :

Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.

Wang, Y.F.,Tie, Y.,Boross, P.I.  et al.
(2007)  J.Med.Chem.  50 : 4509 - 4515

PubMed: 17696515
DOI: 10.1021/jm070482q

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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DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate 2.7.7.49 PROSITE-ProRule:PRU00405
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DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) + diphosphate 2.7.7.7 PROSITE-ProRule:PRU00405
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Cofactor: Evidence: Note:
Mg(2+) ECO:0000250
Binds 2 magnesium ions for reverse transcriptase polymerase activity.
Mg(2+) ECO:0000250
Binds 2 magnesium ions for ribonuclease H (RNase H) activity. Substrate-binding is a precondition for magnesium binding.
Mg(2+) ECO:0000250
Magnesium ions are required for integrase activity. Binds at least 1, maybe 2 magnesium ions.