PDB entry 6nh5

View 6nh5 on RCSB PDB site
Description: Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoro-1-methylpyrrolidin-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: 1.96 Å
R-factor: N/A
AEROSPACI score: 0.32 (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: d6nh5a_
  • 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: d6nh5b_
  • 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: d6nh5c_
  • 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: d6nh5d_
  • Heterogens: HEM, H4B, KLD, BTB, ZN, GOL, CL, GD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6nh5A (A:)
apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
hqemvnyflspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >6nh5A (A:)
fprvknwevgsitydtlsaqaqqdgpctprrclgslvfprklapeqllsqardfinqyys
sikrsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvf
dardcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrq
qdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevple
hptlewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphrynil
edvavcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqk
arggcpadwawivppisgsltpvfhqemvnyflspafryqpdpw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6nh5B (B:)
apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
hqemvnyflspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >6nh5B (B:)
kfprvknwevgsitydtlsaqaqqdgpctprrclgslvfprkapeqllsqardfinqyys
sikrsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvf
dardcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrq
qdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevple
hptlewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphrynil
edvavcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqk
arggcpadwawivppisgsltpvfhqemvnyflspafryqpdpw

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6nh5C (C:)
apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
hqemvnyflspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >6nh5C (C:)
kfprvknwevgsitydtlsaqaqqdgpctprrclgslvfpapeqllsqardfinqyyssi
krsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfda
rdcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqd
gsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevplehp
tlewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphryniled
vavcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqkar
ggcpadwawivppisgsltpvfhqemvnyflspafryqpdpw

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6nh5D (D:)
apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
hqemvnyflspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >6nh5D (D:)
fprvknwevgsitydtlsaqaqqdgpctprrclgslvfprkapeqllsqardfinqyyss
ikrsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfd
ardcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqq
dgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevpleh
ptlewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphrynile
dvavcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqka
rggcpadwawivppisgsltpvfhqemvnyflspafryqpdpw