Brand  (β version)

PDB ID: 3NLS

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Ligands
Code Name Style Show Link
016 (4r)-3-[(2r,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide PoSSuM
DMS Dimethyl sulfoxide PoSSuM
GOL Glycerol PoSSuM
URE Urea PoSSuM
Non-standard Residues
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Structure summary

Code : 3NLS   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal Structure of HIV-1 Protease in Complex with KNI-10772
Release Data : 2011-09-07
Compound :
mol_id molecule chains synonym
1 Protease A,B Retropepsin, PR
ec: 3.4.23.16
fragment: residues 501-599
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11686) Escherichia coli  (taxid:562)
gene: pol
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
Authors : Gabelli, S.B., Kawasaki, Y., Freire, E., Amzel, L.M.
Keywords : PROTEASE, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.70 Å )
Citation :

Crystal Structure of HIV-1 Protease in Complex with KNI-10772

Kawasaki, Y.,Gabelli, S.B.,Amzel, L.M.  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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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.