PDB entry 3dqt

View 3dqt on RCSB PDB site
Description: Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine
Class: oxidoreductase
Keywords: nitric oxide synthase heme enzyme inhibitor, Blood coagulation, Calmodulin-binding, Cytoskeleton, FAD, FMN, Golgi apparatus, Heme, Iron, Lipoprotein, Membrane, Metal-binding, Myristate, NADP, Oxidoreductase, Palmitate, Phosphoprotein
Deposited on 2008-07-09, released 2009-03-31
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 2.54 Å
R-factor: 0.197
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (0-415)
      • variant (33)
    Domains in SCOPe 2.07: d3dqta_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-415)
      • variant (33)
    Domains in SCOPe 2.07: d3dqtb_
  • Heterogens: CAC, ACT, ZN, HEM, H4B, JI7, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3dqtA (A:)
    gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprklqtrpspgpppaeqll
    sqardfinqyyssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprc
    vgriqwgklqvfdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriw
    nsqlvryagyrqqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfv
    lppelvlevplehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigt
    rnlcdphryniledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaat
    vsfmkhldneqkarggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dqtA (A:)
    gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlpppaeqllsqardfinqyy
    ssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqv
    fdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyr
    qqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpl
    ehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryni
    ledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneq
    karggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3dqtB (B:)
    gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprklqtrpspgpppaeqll
    sqardfinqyyssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprc
    vgriqwgklqvfdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriw
    nsqlvryagyrqqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfv
    lppelvlevplehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigt
    rnlcdphryniledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaat
    vsfmkhldneqkarggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dqtB (B:)
    kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprpppaeqllsqardfinqyy
    ssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqv
    fdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyr
    qqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpl
    ehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryni
    ledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneq
    karggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw