PDB entry 6nhb

View 6nhb on RCSB PDB site
Description: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-((2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: nitric oxide synthase, inhibitor complex, heme enzyme, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2018-12-21, released 2019-03-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-04, with a file datestamp of 2019-11-29.
Experiment type: XRAY
Resolution: 2.03 Å
R-factor: N/A
AEROSPACI score: 0.3 (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: d6nhba_
  • Chain 'B':
    Compound: Nitric oxide synthase, brain
    Species: Homo sapiens [TaxId:9606]
    Gene: NOS1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P29475 (Start-420)
      • engineered mutation (52)
      • engineered mutation (55)
    Domains in SCOPe 2.08: d6nhbb_
  • Heterogens: HEM, H4B, KNS, GOL, ZN, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >6nhbA (A:)
cprflkvknwetevvltdtlhlkstletgcteyicmgsimhprpedvatkdqlfplakef
idqyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcvgriqw
sklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqlir
yagykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqippelv
levpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrdycdn
srynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikh
meneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvwk

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

    Sequence, based on observed residues (ATOM records): (download) 
    >6nhbB (B:)
prflkvknwetevvltdtlhlkstletgcteyicmgsimhpsedvatkdqlfplakefid
qyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcvgriqwsk
lqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqlirya
gykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqippelvle
vpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrdycdnsr
ynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhme
neyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvwk