PDB entry 3rqo

View 3rqo on RCSB PDB site
Description: Structure of the endothelial nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R/1R,2S)-2-(3-Clorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Class: oxidoreductase/inhibitor
Keywords: oxidoreductase, enzyme-inhibitor complex, OXIDOREDUCTASE-INHIBITOR complex
Deposited on 2011-04-28, released 2012-05-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-11-08, with a file datestamp of 2017-11-03.
Experiment type: XRAY
Resolution: 2.08 Å
R-factor: N/A
AEROSPACI score: 0.29 (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-442)
      • see remark 999 (60)
    Domains in SCOPe 2.08: d3rqoa_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-442)
      • see remark 999 (60)
    Domains in SCOPe 2.08: d3rqob_
  • Heterogens: HEM, H4B, X2D, ACT, GOL, CAD, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3rqoA (A:)
rapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctpr
rclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveaev
astgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhiky
atnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqh
gwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpavs
nmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdk
aaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgslt
pvfhqemvnyilspafryqpdpw

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

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3rqoB (B:)
rapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctpr
rclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveaev
astgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhiky
atnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqh
gwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpavs
nmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdk
aaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgslt
pvfhqemvnyilspafryqpdpw

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