PDB entry 4d36

View 4d36 on RCSB PDB site
Description: Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine
Class: oxidoreductase
Keywords: oxidoreductase, nitric oxide synthase, inhibitor complex
Deposited on 2014-10-20, released 2014-12-24
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-12-24, with a file datestamp of 2014-12-19.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: 0.1703
AEROSPACI score: 0.38 (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-442)
      • conflict (60)
    Domains in SCOPe 2.05: d4d36a_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-442)
      • conflict (60)
    Domains in SCOPe 2.05: d4d36b_
  • Heterogens: HEM, H4B, HLW, ACT, GOL, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4d36A (A:)
    rapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctpr
    rclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveaev
    astgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhiky
    atnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqh
    gwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpavs
    nmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdk
    aaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgslt
    pvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4d36A (A:)
    gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprpaeqllsqardfinqyy
    ssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqv
    fdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyr
    qqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpl
    ehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryni
    ledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneq
    karggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4d36B (B:)
    rapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctpr
    rclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveaev
    astgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhiky
    atnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqh
    gwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpavs
    nmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdk
    aaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgslt
    pvfhqemvnyilspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4d36B (B:)
    kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprkpaeqllsqardfinqyys
    sikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvf
    dardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrq
    qdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevple
    hptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphrynil
    edvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqk
    arggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw