PDB entry 3nle

View 3nle on RCSB PDB site
Description: Structure of endothelial nitric oxide synthase heme domain complexed with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine
Class: Oxidoreductase
Keywords: nitric oxide synthase, heme enzyme, substrate inhibitor, Oxidoreductase
Deposited on 2010-06-21, released 2010-11-03
The last revision prior to the SCOPe 2.03 freeze date was dated 2010-11-24, with a file datestamp of 2010-11-19.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.185
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nitric oxide synthase, endothelial
    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 2.03: d3nlea_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    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 2.03: d3nleb_
  • Heterogens: HEM, H4B, ACT, GOL, CAD, JRR, ZN, HOH

PDB Chain Sequences:

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3nleB (B:)
kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlpaeqllsqardfinqyyssik
rsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdar
dcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdg
svrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevplehpt
lewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryniledv
avcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarg
gcpadwawivppisgsltpvfhqemvnyilspafryqpdpw