PDB entry 6av6

View 6av6 on RCSB PDB site
Description: Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine
Class: oxidoreductase
Keywords: nitric oxide synthase inhibitor complex heme enzyme, OXIDOREDUCTASE
Deposited on 2017-09-01, released 2018-07-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-25, with a file datestamp of 2019-12-20.
Experiment type: XRAY
Resolution: 2.08 Å
R-factor: N/A
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nitric oxide synthase, endothelial
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6av6a_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6av6b_
  • Chain 'C':
    Compound: Nitric oxide synthase, endothelial
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6av6c_
  • Chain 'D':
    Compound: Nitric oxide synthase, endothelial
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6av6d_
  • Heterogens: HEM, W68, BTB, ZN, GOL, CL, GD, H4B, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6av6A (A:)
    apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
    gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
    gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
    rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
    pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
    leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
    einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
    hqemvnyflspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >6av6A (A:)
    fprvknwevgsitydtlsaqaqqdgpctprrclgslvfprpeqllsqardfinqyyssik
    rsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfdar
    dcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdg
    svrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevplehpt
    lewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphryniledv
    avcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqkarg
    gcpadwawivppisgsltpvfhqemvnyflspafryqpdpw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6av6B (B:)
    apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
    gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
    gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
    rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
    pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
    leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
    einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
    hqemvnyflspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >6av6B (B:)
    fprvknwevgsitydtlsaqaqqdgpctprrclgslvfpapeqllsqardfinqyyssik
    rsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfdar
    dcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdg
    svrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevplehpt
    lewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphryniledv
    avcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqkarg
    gcpadwawivppisgsltpvfhqemvnyflspafryqpdpw
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6av6C (C:)
    apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
    gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
    gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
    rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
    pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
    leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
    einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
    hqemvnyflspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >6av6C (C:)
    fprvknwevgsitydtlsaqaqqdgpctprrclgslvfpapeqllsqardfinqyyssik
    rsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfdar
    dcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdg
    svrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevplehpt
    lewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphryniledv
    avcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqkarg
    gcpadwawivppisgsltpvfhqemvnyflspafryqpdpw
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6av6D (D:)
    apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
    gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
    gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
    rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
    pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
    leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
    einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
    hqemvnyflspafryqpdpw
    

    Sequence, based on observed residues (ATOM records): (download)
    >6av6D (D:)
    kfprvknwevgsitydtlsaqaqqdgpctprrclgslvfpapeqllsqardfinqyyssi
    krsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfda
    rdcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqd
    gsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevplehp
    tlewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphryniled
    vavcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqkar
    ggcpadwawivppisgsltpvfhqemvnyflspafryqpdpw