PDB entry 6av3

View 6av3 on RCSB PDB site
Description: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Class: OXIDOREDUCTASE/inhibitor
Keywords: nitric oxide synthase inhibitor heme enzyme, OXIDOREDUCTASE, OXIDOREDUCTASE-inhibitor complex
Deposited on 2017-09-01, released 2018-07-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-01-01, with a file datestamp of 2019-12-27.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Nitric oxide synthase, brain
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29475 (0-420)
      • engineered mutation (52)
      • engineered mutation (55)
    Domains in SCOPe 2.08: d6av3a_
  • Chain 'B':
    Compound: Nitric oxide synthase, brain
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29475
      • engineered mutation (52)
      • engineered mutation (55)
    Domains in SCOPe 2.08: d6av3b_
  • Heterogens: HEM, H4B, W79, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6av3A (A:)
cprflkvknwetevvltdtlhlkstletgcteyicmgsimhpsqharrpedvatkdqlfp
lakefidqyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
dycdnsrynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
k

    Sequence, based on observed residues (ATOM records): (download) 
    >6av3A (A:)
cprflkvknwetevvltdtlhlkstletgcteyicmgsimhpdvatkdqlfplakefidq
yyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcvgriqwskl
qvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryag
ykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqippelvlev
pirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrdycdnsry
nileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmen
eyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvwk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6av3B (B:)
cprflkvknwetevvltdtlhlkstletgcteyicmgsimhpsqharrpedvatkdqlfp
lakefidqyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
dycdnsrynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
k

    Sequence, based on observed residues (ATOM records): (download) 
    >6av3B (B:)
rflkvknwetevvltdtlhlkstletgcteyicmgsimhpatkdqlfplakefidqyyss
ikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcvgriqwsklqvfd
ardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryagykqp
dgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqippelvlevpirh
pkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrdycdnsrynile
evakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmeneyrc
rggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw