PDB entry 3rqj

View 3rqj on RCSB PDB site
Description: Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R)-2-(3-Fluorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Class: Oxidoreductase/Inhibitor
Keywords: oxidoreductase, enzyme-inhibitor complex, Oxidoreductase-Inhibitor complex
Deposited on 2011-04-28, released 2012-05-02
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-04-24, with a file datestamp of 2013-04-19.
Experiment type: XRAY
Resolution: 1.84 Å
R-factor: 0.191
AEROSPACI score: 0.5 (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): Domains in SCOPe 2.04: d3rqja_
  • Chain 'B':
    Compound: Nitric oxide synthase, brain
    Species: Rattus norvegicus [TaxId:10116]
    Gene: Nos1, Bnos
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3rqjb_
  • Heterogens: HEM, H4B, ACT, Y2B, ZN, HOH

PDB Chain Sequences:

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

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

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

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