PDB entry 4cx1

View 4cx1 on RCSB PDB site
Description: Structure of bovine endothelial nitric oxide synthase L111A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Class: oxidoreductase
Keywords: oxidoreductase, inhibitor complex
Deposited on 2014-04-03, released 2014-08-13
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-09-03, with a file datestamp of 2014-08-29.
Experiment type: XRAY
Resolution: 2.13 Å
R-factor: 0.17453
AEROSPACI score: 0.35 (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 (Start-442)
      • conflict (60)
    Domains in SCOPe 2.05: d4cx1a_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-442)
      • conflict (60)
    Domains in SCOPe 2.05: d4cx1b_
  • Heterogens: HEM, H2B, HW9, ACT, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4cx1A (A:)
rapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctpr
rclgslvlprkaqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveaev
astgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhiky
atnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqh
gwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpavs
nmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdk
aaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgslt
pvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >4cx1A (A:)
gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprpaeqllsqardfinqyy
ssikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqv
fdardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyr
qqdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpl
ehptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryni
ledvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneq
karggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4cx1B (B:)
rapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctpr
rclgslvlprkaqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveaev
astgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhiky
atnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciqh
gwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpavs
nmlleigglefsaapfsgwymsteigtrnlcdphryniledvavcmdldtrttsslwkdk
aaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgslt
pvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >4cx1B (B:)
kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprkpaeqllsqardfinqyys
sikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvf
dardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrq
qdgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevple
hptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphrynil
edvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqk
arggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw