PDB entry 4ups

View 4ups on RCSB PDB site
Description: Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl) phenyl]thiophene-2-carboximidamide
Class: oxidoreductase
Keywords: oxidoreductase, inhibitor complex
Deposited on 2014-06-17, released 2014-08-20
The last revision prior to the SCOPe 2.04 freeze date was dated 2014-08-20, with a file datestamp of 2014-08-15.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.17888
AEROSPACI score: 0.39 (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)
  • 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 2.04: d4upsb_
  • Heterogens: HEM, H4B, 6E5, ACT, GOL, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    No sequence available.

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4upsB (B:)
kfprvknwelgsitydtlcaqsqqdgpctprrclgslvlppaeqllsqardfinqyyssi
krsgsqaheerlqeveaevastgtyhlreselvfgakqawrnaprcvgriqwgklqvfda
rdcssaqemftyicnhikyatnrgnlrsaitvfpqrapgrgdfriwnsqlvryagyrqqd
gsvrgdpanveitelciqhgwtpgngrfdvlplllqapdeapelfvlppelvlevplehp
tlewfaalglrwyalpavsnmlleigglefsaapfsgwymsteigtrnlcdphryniled
vavcmdldtrttsslwkdkaaveinlavlhsfqlakvtivdhhaatvsfmkhldneqkar
ggcpadwawivppisgsltpvfhqemvnyilspafryqpdpw