PDB entry 6neh

View 6neh on RCSB PDB site
Description: N191D, F205S mutant of scoulerine 9-O-methyltransferase from Thalictrum flavum complexed with (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and S-ADENOSYL-L-HOMOCYSTEINE
Class: biosynthetic protein
Keywords: Scoulerine, Methyltransferase, Benzylisoquinoline Alkaloid, Plant natural products, BIOSYNTHETIC PROTEIN
Deposited on 2018-12-17, released 2019-12-18
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-18, with a file datestamp of 2019-12-13.
Experiment type: XRAY
Resolution: 1.52 Å
R-factor: N/A
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: (S)-scoulerine 9-O-methyltransferase
    Species: Thalictrum flavum subsp. glaucum [TaxId:150095]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5C9L2
      • engineered mutation (210)
      • engineered mutation (224)
    Domains in SCOPe 2.08: d6neha1, d6neha2
  • Chain 'B':
    Compound: (S)-scoulerine 9-O-methyltransferase
    Species: Thalictrum flavum subsp. glaucum [TaxId:150095]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5C9L2
      • engineered mutation (210)
      • engineered mutation (224)
    Domains in SCOPe 2.08: d6nehb1, d6nehb2
  • Heterogens: SAH, SLX, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6nehA (A:)
mgsshhhhhhssglvprgshmalqegvnylsglglsrliclpmalraaielnvfeiifqa
gpeaqlspaeivakiptknpnaaialdrilrmlgassilsvttmkdgrvyglteesrclv
adkngvsvvpmllftsdkavvesfynikdvvleegvipfdrthgmdffayagkeqsvnks
fnqamgagstiafdevfkvykgfhdlkelvdvgggigtslsniiskyphikginfelphv
iadapnypgvehiagnmfegvpnaqnillkwvlhdwddersikilqncwkalpeggtviv
vefvlpqilgnnaesfnaltpdllmmtlnpggkertttefdglakaagfaetkffpisqg
lhvmefhkatagvas

    Sequence, based on observed residues (ATOM records): (download) 
    >6nehA (A:)
vnylsglglsrliclpmalraaielnvfeiifqagpeaqlspaeivakiptknpnaaial
drilrmlgassilsvttmkdgrvyglteesrclvadkngvsvvpmllftsdkavvesfyn
ikdvvleegvipfdrthgmdffayagkeqsvnksfnqamgagstiafdevfkvykgfhdl
kelvdvgggigtslsniiskyphikginfelphviadapnypgvehiagnmfegvpnaqn
illkwvlhdwddersikilqncwkalpeggtvivvefvlpqilgnnaesfnaltpdllmm
tlnpggkertttefdglakaagfaetkffpisqglhvmefhk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6nehB (B:)
mgsshhhhhhssglvprgshmalqegvnylsglglsrliclpmalraaielnvfeiifqa
gpeaqlspaeivakiptknpnaaialdrilrmlgassilsvttmkdgrvyglteesrclv
adkngvsvvpmllftsdkavvesfynikdvvleegvipfdrthgmdffayagkeqsvnks
fnqamgagstiafdevfkvykgfhdlkelvdvgggigtslsniiskyphikginfelphv
iadapnypgvehiagnmfegvpnaqnillkwvlhdwddersikilqncwkalpeggtviv
vefvlpqilgnnaesfnaltpdllmmtlnpggkertttefdglakaagfaetkffpisqg
lhvmefhkatagvas

    Sequence, based on observed residues (ATOM records): (download) 
    >6nehB (B:)
vnylsglglsrliclpmalraaielnvfeiifqagpeaqlspaeivakiptknpnaaial
drilrmlgassilsvttmkdgrvyglteesrclvadkngvsvvpmllftsdkavvesfyn
ikdvvleegvipfdrthgmdffayagkeqsvnksfnqamgagstiafdevfkvykgfhdl
kelvdvgggigtslsniiskyphikginfelphviadapnypgvehiagnmfegvpnaqn
illkwvlhdwddersikilqncwkalpeggtvivvefvlpqilgnnaesfnaltpdllmm
tlnpggkertttefdglakaagfaetkffpisqglhvmefhk