Brand  (β version)

PDB ID: 3EKY

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Ligands
Code Name Style Show Link
DR7 (3s,8s,9s,12s)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5, 6,10,13-pentaazatetradecanedioic acid dimethyl ester PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3EKY   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir
Release Data : 2009-09-01
Compound :
mol_id molecule chains synonym
1 Protease A,B Retropepsin, PR
ec: 3.4.23.16
fragment: UNP residues 491-589
mutation: Q7K,V64I
Source :
mol_id organism_scientific organism_common expression_system
1 HIV-1 M:B_ARV2/SF2  (taxid:11685) HIV-1 Escherichia coli  (taxid:562)
strain: HXB2
gene: gag-pol
expression_system_strain: TAP106
expression_system_vector_type: Plasmid
expression_system_plasmid: PXC35
Authors : Schiffer, C.A., Nalam, M.N.L.
Keywords : HIV protease, protease inhibitors, drug resistance, Atazanavir, AIDS, Hydrolase, Protease
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.

King, N.M.,Prabu-Jeyabalan, M.,Bandaranayake, R.M.  et al.
(2012)  Acs Chem.Biol.  7 : 1536 - 1546

PubMed: 22712830
DOI: 10.1021/cb300191k

Reaction

Chain : A, B
UniProt : P03369 (POL_HV1A2)
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.