PDB entry 3n5r

View 3n5r on RCSB PDB site
Description: Structure of endothelial nitric oxide synthase heme domain complexed with 4-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-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 2.04 freeze date was dated 2011-02-09, with a file datestamp of 2011-02-04.
Experiment type: XRAY
Resolution: 2.57 Å
R-factor: 0.185
AEROSPACI score: 0.32 (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 P29473 (Start-443)
      • see remark 999 (61)
    Domains in SCOPe 2.04: d3n5ra_
  • Chain 'B':
    Compound: nitric oxide synthase
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-443)
      • see remark 999 (61)
    Domains in SCOPe 2.04: d3n5rb_
  • Heterogens: HEM, ACT, GOL, CAD, H4B, XFH, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3n5rA (A:)
srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
rrclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
snmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkd
kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
tpvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >3n5rA (A:)
gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprppaeqllsqardfinqy
yssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklq
vfdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagy
rqqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevp
lehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryn
iledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldne
qkarggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3n5rB (B:)
srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
rrclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
snmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkd
kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
tpvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >3n5rB (B:)
kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprpppaeqllsqardfinqyy
ssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqv
fdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyr
qqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpl
ehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryni
ledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneq
karggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw