PDB entry 3n6a

View 3n6a on RCSB PDB site
Description: Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: nitric oxide synthase, heme enzyme, substrate inhibitor, OXIDOREDUCTASE, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2010-05-25, released 2011-02-09
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-02-09, with a file datestamp of 2011-02-04.
Experiment type: XRAY
Resolution: 2.49 Å
R-factor: 0.187
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: nitric oxide synthase
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29476 (Start-443)
      • see remark 999 (61)
      • engineered mutation (67)
      • engineered mutation (329)
    Domains in SCOPe 2.07: d3n6aa_
  • Chain 'B':
    Compound: nitric oxide synthase
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29476 (Start-443)
      • see remark 999 (61)
      • engineered mutation (67)
      • engineered mutation (329)
    Domains in SCOPe 2.07: d3n6ab_
  • Heterogens: HEM, ACT, XFK, CAD, H4B, ZN, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3n6aA (A:)
    srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
    rrclgslmlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
    vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
    yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
    hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
    snmlleigglefsaapfsgwymsteigtrdlcdphryniledvavcmdldtrttsslwkd
    kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
    tpvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n6aA (A:)
    gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslmlprppaeqllsqardfinqy
    yssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklq
    vfdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagy
    rqqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevp
    lehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrdlcdphryn
    iledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldne
    qkarggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3n6aB (B:)
    srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
    rrclgslmlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
    vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
    yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
    hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
    snmlleigglefsaapfsgwymsteigtrdlcdphryniledvavcmdldtrttsslwkd
    kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
    tpvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n6aB (B:)
    kfprvknwelgsitydtlcaqsqqdgpctprrclgslmlprpaeqllsqardfinqyyss
    ikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfd
    ardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqq
    dgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpleh
    ptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrdlcdphrynile
    dvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqka
    rggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw