PDB entry 3nld

View 3nld on RCSB PDB site
Description: Structure of endothelial nitric oxide synthase heme domain complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine
Class: Oxidoreductase
Keywords: nitric oxide synthase, heme enzyme, substrate inhibitor, Oxidoreductase
Deposited on 2010-06-21, released 2010-11-03
The last revision prior to the SCOPe 2.07 freeze date was dated 2010-11-24, with a file datestamp of 2010-11-19.
Experiment type: XRAY
Resolution: 2.29 Å
R-factor: 0.225
AEROSPACI score: 0.32 (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 (Start-443)
      • see remark 999 (61)
    Domains in SCOPe 2.07: d3nlda_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-443)
      • see remark 999 (61)
    Domains in SCOPe 2.07: d3nldb_
  • Heterogens: HEM, H4B, ACT, GOL, JSS, CAD, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3nldA (A:)
    srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
    rrclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
    vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
    yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
    hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
    snmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkd
    kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
    tpvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3nldA (A:)
    gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlpaeqllsqardfinqyyss
    ikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfd
    ardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqq
    dgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpleh
    ptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphrynile
    dvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqka
    rggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3nldB (B:)
    srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
    rrclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
    vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
    yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
    hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
    snmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkd
    kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
    tpvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3nldB (B:)
    kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprpaeqllsqardfinqyyss
    ikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfd
    ardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqq
    dgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpleh
    ptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphrynile
    dvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqka
    rggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw