PDB entry 6pp0

View 6pp0 on RCSB PDB site
Description: Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine
Class: oxidoreductase/inhibitor
Keywords: nitric oxide synthase inhibitor, heme enzyme, OXIDOREDUCTASE, OXIDOREDUCTASE-INHIBITOR complex
Deposited on 2019-07-05, released 2020-04-29
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-05-27, with a file datestamp of 2020-05-22.
Experiment type: XRAY
Resolution: 1.97 Å
R-factor: N/A
AEROSPACI score: 0.31 (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):
    • Uniprot P29474 (Start-439)
      • variant (257)
    Domains in SCOPe 2.08: d6pp0a_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29474 (Start-439)
      • variant (257)
    Domains in SCOPe 2.08: d6pp0b_
  • Chain 'C':
    Compound: Nitric oxide synthase, endothelial
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29474 (Start-439)
      • variant (257)
    Domains in SCOPe 2.08: d6pp0c_
  • Chain 'D':
    Compound: Nitric oxide synthase, endothelial
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29474 (Start-439)
      • variant (257)
    Domains in SCOPe 2.08: d6pp0d_
  • Heterogens: OUP, HEM, H4B, BTB, ZN, GOL, CL, GD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6pp0A (A:)
apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
hqemvnyflspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >6pp0A (A:)
kfprvknwevgsitydtlsaqaqqdgpctprrclgslvfprpeqllsqardfinqyyssi
krsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfda
rdcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqd
gsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevplehp
tlewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphryniled
vavcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqkar
ggcpadwawivppisgsltpvfhqemvnyflspafryqpdpw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6pp0B (B:)
apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
hqemvnyflspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >6pp0B (B:)
kfprvknwevgsitydtlsaqaqqdgpctprrclgslvfprapeqllsqardfinqyyss
ikrsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfd
ardcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqq
dgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevpleh
ptlewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphrynile
dvavcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqka
rggcpadwawivppisgsltpvfhqemvnyflspafryqpdpw

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6pp0C (C:)
apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
hqemvnyflspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >6pp0C (C:)
fprvknwevgsitydtlsaqaqqdgpctprrclgslvfprapeqllsqardfinqyyssi
krsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfda
rdcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqd
gsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevplehp
tlewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphryniled
vavcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqkar
ggcpadwawivppisgsltpvfhqemvnyflspafryqpdpw

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6pp0D (D:)
apasllppapehsppsspltqppegpkfprvknwevgsitydtlsaqaqqdgpctprrcl
gslvfprklqgrpspgppapeqllsqardfinqyyssikrsgsqaheqrlqeveaevaat
gtyqlreselvfgakqawrnaprcvgriqwgklqvfdardcrsaqemftyicnhikyatn
rgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqhgwt
pgngrfdvlplllqapdeppelfllppelvlevplehptlewfaalglrwyalpavsnml
leigglefpaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdkaav
einvavlhsyqlakvtivdhhaatasfmkhleneqkarggcpadwawivppisgsltpvf
hqemvnyflspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >6pp0D (D:)
kfprvknwevgsitydtlsaqaqqdgpctprrclgslvfprapeqllsqardfinqyyss
ikrsgsqaheqrlqeveaevaatgtyqlreselvfgakqawrnaprcvgriqwgklqvfd
ardcrsaqemftyicnhikyatnrgnlrsaitvfpqrcpgrgdfriwnsqlvryagyrqq
dgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeppelfllppelvlevpleh
ptlewfaalglrwyalpavsnmlleigglefpaapfsgwymsteigtrnlcdphrynile
dvavcmdldtrttsslwkdkaaveinvavlhsyqlakvtivdhhaatasfmkhleneqka
rggcpadwawivppisgsltpvfhqemvnyflspafryqpdpw