Brand  (β version)

PDB ID: 2XYE

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Ligands
Code Name Style Show Link
CXG Methyl N-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate PoSSuM
Non-standard Residues
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Structure summary

Code : 2XYE   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents
Release Data : 2011-12-07
Compound :
mol_id molecule chains synonym
1 PROTEASE A,B PR, RETROPEPSIN
ec: 3.4.23.16
mutation: YES
Source :
mol_id organism_scientific expression_system
1 HUMAN IMMUNODEFICIENCY VIRUS 1 (Z2/CDC-Z34 ISOLATE)  (taxid:11683) ESCHERICHIA COLI  (taxid:511693)
strain: D10
expression_system_strain: BL21-AI
expression_system_vector_type: PLASMID
expression_system_plasmid: PEXP5
other_details: GROUP M SUBTYPE D
Authors : Ohrngren, P., Wu, X., Persson, M., Ekegren, J.K., Wallberg, H., Rosenquist, A., Samuelsson, B., Unge, T., Larhed, M.
Keywords : HYDROLASE, AIDS
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents

Ohrngren, P.,Wu, X.,Persson, M.  et al.
(2011)  Med.Chem.Commun.  2 : 701

DOI: 10.1039/C1MD00077B

Reaction

Chain : A, B
UniProt : P03366 (POL_HV1B1)
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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3'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid. 3.1.13.2 ECO:0000250
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[Reverse transcriptase/ribonuclease H]
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 PubMed:2476069
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[Reverse transcriptase/ribonuclease H]
a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1) 		2.7.7.49 PROSITE- ProRule:PRU00405, PubMed:2476069
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[Reverse transcriptase/ribonuclease H]
a 2'-deoxyribonucleoside 5'-triphosphate + DNA(n) = diphosphate + DNA(n+1) 		2.7.7.7 PROSITE- ProRule:PRU00405, PubMed:2476069
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