Brand  (β version)

PDB ID: 6B3F

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Ligands
Code Name Style Show Link
CKV N-(3-fluoro-2-{2-[(2s,5s)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide PoSSuM
CL Chloride ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6B3F   PDBj   RCSB PDB   PDBe
Header : VIRAL PROTEIN/INHIBITOR
Title : Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Release Data : 2018-01-03
Compound :
mol_id molecule chains
1 HIV-1 Protease A,B
ec: 3.4.23.16
Source :
mol_id organism_scientific organism_common expression_system
1 Human immunodeficiency virus 1  (taxid:11676) HIV-1 Human immunodeficiency virus 1  (taxid:11676)
gene: gag-pol
Authors : Su, H.P.
Keywords : HIV, protease, VIRAL PROTEIN, VIRAL PROTEIN-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.46 Å )
Citation :

Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.

Bungard, C.J.,Williams, P.D.,Schulz, J.  et al.
(2017)  ACS Med Chem Lett  8 : 1292 - 1297

PubMed: 29259750
DOI: 10.1021/acsmedchemlett.7b00386

Reaction

Chain : A, B
UniProt : P04587 (POL_HV1B5)
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 ECO:0000250
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3'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid. 3.1.13.2 ECO:0000250
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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.