PDB entry 3n67

View 3n67 on RCSB PDB site
Description: Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-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: 2.09 Å
R-factor: 0.176
AEROSPACI score: 0.42 (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: d3n67a_
  • 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: d3n67b_
  • Heterogens: HEM, ACT, XFN, CAD, H4B, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3n67A (A:)
    srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
    rrclgslmlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
    vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
    yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
    hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
    snmlleigglefsaapfsgwymsteigtrdlcdphryniledvavcmdldtrttsslwkd
    kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
    tpvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n67A (A:)
    gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslmlppaeqllsqardfinqyys
    sikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvf
    dardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrq
    qdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevple
    hptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrdlcdphrynil
    edvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqk
    arggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3n67B (B:)
    srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
    rrclgslmlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
    vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
    yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
    hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
    snmlleigglefsaapfsgwymsteigtrdlcdphryniledvavcmdldtrttsslwkd
    kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
    tpvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n67B (B:)
    kfprvknwelgsitydtlcaqsqqdgpctprrclgslmlprpaeqllsqardfinqyyss
    ikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfd
    ardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqq
    dgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpleh
    ptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrdlcdphrynile
    dvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqka
    rggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw