PDB entry 6nhf

View 6nhf on RCSB PDB site
Description: Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylazetidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
Class: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Keywords: nitric oxide synthase inhibitor complex heme enzyme, OXIDOREDUCTASE, OXIDOREDUCTASE-OXIDOREDUCTASE inhibitor complex
Deposited on 2018-12-21, released 2019-03-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-04, with a file datestamp of 2019-11-29.
Experiment type: XRAY
Resolution: 1.83 Å
R-factor: N/A
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Endothelial nitric oxide synthase splice variant eNOS13A
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6nhfa_
  • Chain 'B':
    Compound: Endothelial nitric oxide synthase splice variant eNOS13A
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6nhfb_
  • Chain 'C':
    Compound: Endothelial nitric oxide synthase splice variant eNOS13A
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6nhfc_
  • Chain 'D':
    Compound: Endothelial nitric oxide synthase splice variant eNOS13A
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6nhfd_
  • Heterogens: HEM, H4B, KNV, BTB, ZN, GOL, CL, GD, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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