PDB entry 3n61

View 3n61 on RCSB PDB site
Description: Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: heme enzyme, nitric oxide synthase, substrate inhibitor, Zn binding', OXIDOREDUCTASE, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2010-05-25, released 2011-02-09
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-02-09, with a file datestamp of 2011-02-04.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.181
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: nitric oxide synthase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29476
      • engineered mutation (39)
      • engineered mutation (300)
    Domains in SCOPe 2.03: d3n61a_
  • Chain 'B':
    Compound: nitric oxide synthase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: NOS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29476 (Start-421)
      • engineered mutation (39)
      • engineered mutation (300)
    Domains in SCOPe 2.03: d3n61b_
  • Heterogens: HEM, XFJ, H4B, ACT, ZN, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3n61A (A:)
cprflkvknwetdvvltdtlhlkstletgctehicmgsivlpsqhtrkpedvrtkdqlfp
lakefldqyyssikrfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
nycdnsrynileevakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
kg

    Sequence, based on observed residues (ATOM records): (download) 
    >3n61A (A:)
rflkvknwetdvvltdtlhlkstletgctehicmgsivlptkdqlfplakefldqyyssi
krfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcvgriqwsklqvfda
rdcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryagykqpd
gstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqippelvlevpirhp
kfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrnycdnsrynilee
vakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmeneyrcr
ggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3n61B (B:)
cprflkvknwetdvvltdtlhlkstletgctehicmgsivlpsqhtrkpedvrtkdqlfp
lakefldqyyssikrfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
nycdnsrynileevakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
kg

    Sequence, based on observed residues (ATOM records): (download) 
    >3n61B (B:)
rflkvknwetdvvltdtlhlkstletgctehicmgsivlpvrtkdqlfplakefldqyys
sikrfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcvgriqwsklqvf
dardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryagykq
pdgstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqippelvlevpir
hpkfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrnycdnsrynil
eevakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmeneyr
crggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvwkg