PDB entry 4k5i

View 4k5i on RCSB PDB site
Description: Structure of bovine endothelial nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: nitric oxide synthase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2013-04-14, released 2013-09-18
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-15, with a file datestamp of 2017-11-10.
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)
      • conflict (60)
    Domains in SCOPe 2.07: d4k5ia_
  • 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)
      • conflict (60)
    Domains in SCOPe 2.07: d4k5ib_
  • Heterogens: HEM, H4B, 1Q7, ACT, GOL, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4k5iA (A:)
rapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctpr
rclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveaev
astgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhiky
atnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqh
gwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpavs
nmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdk
aaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgslt
pvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >4k5iA (A:)
gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprpaeqllsqardfinqyy
ssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqv
fdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyr
qqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpl
ehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryni
ledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneq
karggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4k5iB (B:)
rapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctpr
rclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveaev
astgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhiky
atnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqh
gwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpavs
nmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdk
aaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgslt
pvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >4k5iB (B:)
kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprklpaeqllsqardfinqyy
ssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqv
fdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyr
qqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpl
ehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryni
ledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneq
karggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw