PDB entry 3n65

View 3n65 on RCSB PDB site
Description: Structure of neuronal nitric oxide synthase S602H 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 2.05 freeze date was dated 2011-02-09, with a file datestamp of 2011-02-04.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.168
AEROSPACI score: 0.53 (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 (305)
    Domains in SCOPe 2.05: d3n65a_
  • 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 (305)
    Domains in SCOPe 2.05: d3n65b_
  • Heterogens: HEM, H4B, ACT, XFJ, CL, ZN, MTL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3n65A (A:)
cprflkvknwetdvvltdtlhlkstletgctehicmgsimlpsqhtrkpedvrtkdqlfp
lakefldqyyssikrfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
dycdnhrynileevakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
kg

    Sequence, based on observed residues (ATOM records): (download) 
    >3n65A (A:)
rflkvknwetdvvltdtlhlkstletgctehicmgsimlptkdqlfplakefldqyyssi
krfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcvgriqwsklqvfda
rdcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryagykqpd
gstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqippelvlevpirhp
kfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrdycdnhrynilee
vakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmeneyrcr
ggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3n65B (B:)
cprflkvknwetdvvltdtlhlkstletgctehicmgsimlpsqhtrkpedvrtkdqlfp
lakefldqyyssikrfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
dycdnhrynileevakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
kg

    Sequence, based on observed residues (ATOM records): (download) 
    >3n65B (B:)
rflkvknwetdvvltdtlhlkstletgctehicmgsimlpvrtkdqlfplakefldqyys
sikrfgskahmdrleevnkeieststyqlkdteliygakhawrnasrcvgriqwsklqvf
dardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryagykq
pdgstlgdpanvqfteiciqqgwkaprgrfdvlplllqangndpelfqippelvlevpir
hpkfdwfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrdycdnhrynil
eevakkmdldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmeneyr
crggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvwkg