PDB entry 3nli

View 3nli on RCSB PDB site
Description: Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed with 6-{{(3'R,4'R)-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: 1.98 Å
R-factor: 0.171
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-443)
      • see remark 999 (61)
      • engineered mutation (329)
    Domains in SCOPe 2.07: d3nlia_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-443)
      • see remark 999 (61)
      • engineered mutation (329)
    Domains in SCOPe 2.07: d3nlib_
  • Heterogens: HEM, H4B, ACT, GOL, JRR, CAD, ZN, HOH

PDB Chain Sequences:

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

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

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

    Sequence, based on observed residues (ATOM records): (download)
    >3nliB (B:)
    kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlpraeqllsqardfinqyyssi
    krsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfda
    rdcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqd
    gsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevplehp
    tlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrdlcdphryniled
    vavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkar
    ggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw