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Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism
3BXR
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Hydrolase
    Structure Weight: 22591.67
    Molecule: Protease
    Polymer: 1 Type: protein Length: 99
    Chains: A, B
    EC#: 3.4.23.16   
    Fragment: UNP residues 491-589
    Mutation: Q7K, D25N, L33I, C67(ABA), C95(ABA), Q107K, D125N, L133I, C167(ABA), C195(ABA)
    Organism: HIV-1 M:B_ARV2/SF2
    Gene Name: gag-pol
    UniProtKB: Protein Feature View | Search PDB | P03369  
     
  •   Structure Validation Hide

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  • MolProbity Ramachandran Plot
     

  •   Related Citations in PDB Entry (REMARK 1) Hide
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Synthetic construct (HIV-1 M:B_ARV2/SF2)   Taxonomy    
     
  •   Related PDB Entries Hide
    Identifier Details
    1B6P   
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    DRR
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    DRR C37 H51 N5 O7
    (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8- [(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9- diazabicyclo[11.2.2]heptadeca-1(15),13,16- trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca- 1(16),14,17-triene-12-carboxamide
    DRR:3BXR
    SO4
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    SO4 O4 S
    SULFATE ION
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    DRR
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    DRR
    Ki: 800 nM (88) - data from BindingDB  
    Ki: 800 nM - data from BindingMOAD  
    N/Ain PDBbind
     
  •   Modified Residues Hide
    Identifier Formula Parent Type
    ABA
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    ABA C4 H9 N O2 ALA lPeptideLinking
     
  •   External Domain Annotations Hide
     
  •   Structural Biology Knowledgebase Data Hide
     
 
Data in orange boxes are gathered from external resources (when available).
 
  Biological Assembly       
Biological assembly 1 assigned by authors and generated by PISA (software)
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