PDB entry 3n6d

View 3n6d on RCSB PDB site
Description: Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: nitric oxide synthase, heme enzyme, substrate inhibitor, OXIDOREDUCTASE, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2010-05-25, released 2011-02-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-07-17, with a file datestamp of 2019-07-12.
Experiment type: XRAY
Resolution: 3.05 Å
R-factor: N/A
AEROSPACI score: 0.12 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: nitric oxide synthase
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29476 (Start-443)
      • see remark 999 (61)
      • engineered mutation (334)
    Domains in SCOPe 2.08: d3n6da_
  • Chain 'B':
    Compound: nitric oxide synthase
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29476 (Start-443)
      • see remark 999 (61)
      • engineered mutation (334)
    Domains in SCOPe 2.08: d3n6db_
  • Heterogens: HEM, H4B, CAD, XFN, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3n6dA (A:)
srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
rrclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
snmlleigglefsaapfsgwymsteigtrnlcdpsryniledvavcmdldtrttsslwkd
kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
tpvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >3n6dA (A:)
gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlppaeqllsqardfinqyys
sikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvf
dardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrq
qdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevple
hptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdpsrynil
edvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqk
arggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3n6dB (B:)
srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
rrclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
snmlleigglefsaapfsgwymsteigtrnlcdpsryniledvavcmdldtrttsslwkd
kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
tpvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >3n6dB (B:)
kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprpaeqllsqardfinqyyss
ikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfd
ardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqq
dgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpleh
ptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdpsrynile
dvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqka
rggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw