PDB entry 3dqs

View 3dqs on RCSB PDB site
Description: Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(4'-chlorobenzyl)ethane-1,2-diamine
Class: oxidoreductase
Keywords: nitric oxide synthase heme enzyme inhibitor, Blood coagulation, Calmodulin-binding, Cytoskeleton, FAD, FMN, Golgi apparatus, Heme, Iron, Lipoprotein, Membrane, Metal-binding, Myristate, NADP, Oxidoreductase, Palmitate, Phosphoprotein
Deposited on 2008-07-09, released 2009-03-31
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 2.03 Å
R-factor: 0.197
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (0-415)
      • variant (33)
    Domains in SCOPe 2.06: d3dqsa_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-415)
      • variant (33)
    Domains in SCOPe 2.06: d3dqsb_
  • Heterogens: CAC, ACT, ZN, HEM, H4B, JI3, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3dqsA (A:)
gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprklqtrpspgpppaeqll
sqardfinqyyssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprc
vgriqwgklqvfdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriw
nsqlvryagyrqqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfv
lppelvlevplehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigt
rnlcdphryniledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaat
vsfmkhldneqkarggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >3dqsA (A:)
gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlpppaeqllsqardfinqyy
ssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqv
fdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyr
qqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpl
ehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryni
ledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneq
karggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3dqsB (B:)
gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprklqtrpspgpppaeqll
sqardfinqyyssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprc
vgriqwgklqvfdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriw
nsqlvryagyrqqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfv
lppelvlevplehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigt
rnlcdphryniledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaat
vsfmkhldneqkarggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >3dqsB (B:)
kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlpraeqllsqardfinqyyssi
krsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfda
rdcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqd
gsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevplehp
tlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryniled
vavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkar
ggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw