Brand  (β version)

PDB ID: 1MSM

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Ligands
Code Name Style Show Link
JE2 (4r)-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 1MSM   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : The HIV protease (mutant Q7K L33I L63I) complexed with KNI-764 (an inhibitor)
Release Data : 2003-11-04
Compound :
mol_id molecule chains
1 POL polyprotein A,B
ec: 3.4.23.16
fragment: HIV protease (residues 69-167)
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli  (taxid:562)
expression_system_vector_type: plasmid
Authors : Vega, S., Kang, L.-W., Velazquez-Campoy, A., Kiso, Y., Amzel, L.M., Freire, E.
Keywords : HIV, KNI-764, protease, drug target, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.0 Å )
Citation :

A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.

Vega, S.,Kang, L.-W.,Velazquez-Campoy, A.  et al.
(2004)  Proteins  55 : 594 - 602

PubMed: 15103623
DOI: 10.1002/prot.20069

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.