PDB entry 3nlj

View 3nlj on RCSB PDB site
Description: Structure of neuronal nitric oxide synthase D597N/M336V/Y706A triple mutant heme domain complexed with 6-{{(3'R,4'R)-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 2.07 freeze date was dated 2010-11-24, with a file datestamp of 2010-11-19.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.204
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nitric oxide synthase, brain
    Species: Rattus norvegicus [TaxId:10116]
    Gene: Nos1, Bnos
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29476
      • engineered mutation (39)
      • engineered mutation (300)
      • engineered mutation (409)
    Domains in SCOPe 2.07: d3nlja_
  • Chain 'B':
    Compound: Nitric oxide synthase, brain
    Species: Rattus norvegicus [TaxId:10116]
    Gene: Nos1, Bnos
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29476 (Start-421)
      • engineered mutation (39)
      • engineered mutation (300)
      • engineered mutation (409)
    Domains in SCOPe 2.07: d3nljb_
  • Heterogens: HEM, H4B, JRR, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3nljA (A:)
    cprflkvknwetdvvltdtlhlkstletgctehicmgsivlpsqhtrkpedvrtkdqlfp
    lakefldqyyssikrfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcv
    griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
    sqliryagykqpdgstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqi
    ppelvlevpirhpkfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
    nycdnsrynileevakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
    sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeaqpdpwnthvw
    kg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3nljA (A:)
    rflkvknwetdvvltdtlhlkstletgctehicmgsivlptkdqlfplakefldqyyssi
    krfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcvgriqwsklqvfda
    rdcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryagykqpd
    gstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqippelvlevpirhp
    kfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrnycdnsrynilee
    vakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmeneyrcr
    ggcpadwvwivppmsgsitpvfhqemlnyrltpsfeaqpdpwnthvw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3nljB (B:)
    cprflkvknwetdvvltdtlhlkstletgctehicmgsivlpsqhtrkpedvrtkdqlfp
    lakefldqyyssikrfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcv
    griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
    sqliryagykqpdgstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqi
    ppelvlevpirhpkfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
    nycdnsrynileevakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
    sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeaqpdpwnthvw
    kg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3nljB (B:)
    rflkvknwetdvvltdtlhlkstletgctehicmgsivlpvrtkdqlfplakefldqyys
    sikrfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcvgriqwsklqvf
    dardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryagykq
    pdgstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqippelvlevpir
    hpkfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrnycdnsrynil
    eevakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmeneyr
    crggcpadwvwivppmsgsitpvfhqemlnyrltpsfeaqpdpwnthvwkg