PDB entry 3nlh

View 3nlh on RCSB PDB site
Description: Structure of endothelial nitric oxide synthase heme domain N368D mutant complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine
Class: Oxidoreductase
Keywords: nitric oxide synthase, heme enzyme, substrate inhibitor, Oxidoreductase
Deposited on 2010-06-21, released 2010-11-03
The last revision prior to the SCOPe 2.04 freeze date was dated 2010-11-24, with a file datestamp of 2010-11-19.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.175
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]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-443)
      • see remark 999 (61)
      • engineered mutation (329)
    Domains in SCOPe 2.04: d3nlha_
  • Chain 'B':
    Compound: Nitric oxide synthase, endothelial
    Species: Bos taurus [TaxId:9913]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29473 (Start-443)
      • see remark 999 (61)
      • engineered mutation (329)
    Domains in SCOPe 2.04: d3nlhb_
  • Heterogens: HEM, H4B, ACT, GOL, JSS, CAD, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3nlhA (A:)
srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
rrclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
snmlleigglefsaapfsgwymsteigtrdlcdphryniledvavcmdldtrttsslwkd
kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
tpvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >3nlhA (A:)
gpkfprvknwelgsitydtlcaqsqqdgpctprrclgslvlaeqllsqardfinqyyssi
krsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfda
rdcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqd
gsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevplehp
tlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrdlcdphryniled
vavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkar
ggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3nlhB (B:)
srapapatphapdhspapnsptltrppegpkfprvknwelgsitydtlcaqsqqdgpctp
rrclgslvlprklqtrpspgpppaeqllsqardfinqyyssikrsgsqaheerlqeveae
vastgtyhlreselvfgakqawrnaprcvgriqwgklqvfdardcssaqemftyicnhik
yatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqdgsvrgdpanveitelciq
hgwtpgngrfdvlplllqapdeapelfvlppelvlevplehptlewfaalglrwyalpav
snmlleigglefsaapfsgwymsteigtrdlcdphryniledvavcmdldtrttsslwkd
kaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkarggcpadwawivppisgsl
tpvfhqemvnyilspafryqpdpw

    Sequence, based on observed residues (ATOM records): (download) 
    >3nlhB (B:)
kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlprpaeqllsqardfinqyyss
ikrsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfd
ardcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqq
dgsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevpleh
ptlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrdlcdphrynile
dvavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqka
rggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw