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Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism
3BXS
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Hydrolase
    Structure Weight: 22544.62
    Molecule: Protease
    Polymer: 1 Type: protein Length: 99
    Chains: A, B
    EC#: 3.4.23.16   
    Fragment: UNP residues 491-589
    Mutation: Q7K, L33I, C67(ABA), C95(ABA), Q107K, 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
    DRS
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    DRS C19 H26 N2 O5
    (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa- 8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17- triene-12-carboxylic acid
    DRS:3BXS
    SO4
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    SO4 O4 S
    SULFATE ION
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    DRS
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    DRS
    N/Ain BindingDB
    Ki: 8000 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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