PDB entry 7ts5

View 7ts5 on RCSB PDB site
Description: Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine
Class: oxidoreductase
Keywords: nitric oxide synthase inhibitor, heme enzyme, OXIDOREDUCTASE
Deposited on 2022-01-31, released 2022-07-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2022-07-13, with a file datestamp of 2022-07-08.
Experiment type: XRAY
Resolution: 1.84 Å
R-factor: N/A
AEROSPACI score: 0.42 (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)
      • expression tag (421-422)
    Domains in SCOPe 2.08: d7ts5a_
  • Chain 'B':
    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)
      • expression tag (421-422)
    Domains in SCOPe 2.08: d7ts5b1, d7ts5b2
  • Chain 'C':
    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)
      • expression tag (421-422)
    Domains in SCOPe 2.08: d7ts5c_
  • Chain 'D':
    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)
      • expression tag (421-422)
    Domains in SCOPe 2.08: d7ts5d_
  • Heterogens: K9C, HEM, H4B, GOL, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7ts5A (A:)
cprflkvknwetevvltdtlhlkstletgcteyicmgsimhpsqharrpedvatkdqlfp
lakefidqyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
dycdnsrynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
klv

    Sequence, based on observed residues (ATOM records): (download) 
    >7ts5A (A:)
cprflkvknwetevvltdtlhlkstletgcteyicmgsimhpsqharrpedvatkdqlfp
lakefidqyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
dycdnsrynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
k

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7ts5B (B:)
cprflkvknwetevvltdtlhlkstletgcteyicmgsimhpsqharrpedvatkdqlfp
lakefidqyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
dycdnsrynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
klv

    Sequence, based on observed residues (ATOM records): (download) 
    >7ts5B (B:)
rflkvknwetevvltdtlhlkstletgcteyicmgsimhpsvatkdqlfplakefidqyy
ssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcvgriqwsklqv
fdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryagyk
qpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqippelvlevpi
rhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrdycdnsryni
leevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmeney
rcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvwklv

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >7ts5C (C:)
cprflkvknwetevvltdtlhlkstletgcteyicmgsimhpsqharrpedvatkdqlfp
lakefidqyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
dycdnsrynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
klv

    Sequence, based on observed residues (ATOM records): (download) 
    >7ts5C (C:)
flkvknwetevvltdtlhlkstletgcteyicmgsimhpsqharrpedvatkdqlfplak
efidqyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcvgri
qwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsql
iryagykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqippe
lvlevpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrdyc
dnsrynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfi
khmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvwk

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >7ts5D (D:)
cprflkvknwetevvltdtlhlkstletgcteyicmgsimhpsqharrpedvatkdqlfp
lakefidqyyssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcv
griqwsklqvfdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwn
sqliryagykqpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqi
ppelvlevpirhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvr
dycdnsrynileevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsate
sfikhmeneyrcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvw
klv

    Sequence, based on observed residues (ATOM records): (download) 
    >7ts5D (D:)
rflkvknwetevvltdtlhlkstletgcteyicmgsimhpsvatkdqlfplakefidqyy
ssikrfgskahmerleevnkeidttstyqlkdteliygakhawrnasrcvgriqwsklqv
fdardcttahgmfnyicnhvkyatnkgnlrsaitifpqrtdgkhdfrvwnsqliryagyk
qpdgstlgdpanvqfteiciqqgwkpprgrfdvlplllqangndpelfqippelvlevpi
rhpkfewfkdlglkwyglpavsnmlleigglefsacpfsgwymgteigvrdycdnsryni
leevakkmnldmrktsslwkdqalveiniavlysfqsdkvtivdhhsatesfikhmeney
rcrggcpadwvwivppmsgsitpvfhqemlnyrltpsfeyqpdpwnthvwk