PDB entry 4kcs

View 4kcs on RCSB PDB site
Description: Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(3-((ethyl(3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: nitric oxide synthase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2013-04-24, released 2014-02-12
The last revision prior to the SCOPe 2.03 freeze date was dated 2014-02-12, with a file datestamp of 2014-02-07.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: 0.171
AEROSPACI score: 0.38 (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 2.03: d4kcsa_
  • 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 2.03: d4kcsb_
  • Heterogens: HEM, H4B, 5H4, ACT, GOL, ZN, HOH

PDB Chain Sequences:

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

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

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

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