PDB entry 4kcp

View 4kcp on RCSB PDB site
Description: Structure of bovine endotheial nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)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 2.04 freeze date was dated 2014-02-26, with a file datestamp of 2014-02-21.
Experiment type: XRAY
Resolution: 2.07 Å
R-factor: 0.168
AEROSPACI score: 0.37 (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 2.04: d4kcpa_
  • 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 2.04: d4kcpb_
  • Heterogens: HEM, H4B, H44, ACT, GOL, ZN, HOH

PDB Chain Sequences:

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

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

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

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