PDB entry 3dqr

View 3dqr on RCSB PDB site
Description: Structure of neuronal NOS D597N/M336V mutant heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine
Class: oxidoreductase
Keywords: nitric oxide synthase heme enzyme inhibitor, Alternative splicing, Calmodulin-binding, Cell projection, FAD, FMN, Heme, Iron, Membrane, Metal-binding, NADP, Oxidoreductase
Deposited on 2008-07-09, released 2009-03-31
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-04-21, with a file datestamp of 2009-04-17.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.205
AEROSPACI score: 0.35 (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 (39)
      • engineered (300)
    Domains in SCOPe 2.07: d3dqra_
  • 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 (39)
      • engineered (300)
    Domains in SCOPe 2.07: d3dqrb_
  • Heterogens: ACT, ZN, HEM, H4B, JI2, HOH

PDB Chain Sequences:

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

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

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

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