Structure of PDB 6i6l Chain B Binding Site BS01

Receptor Information
>6i6l Chain B (length=353) Species: 3469 (Papaver somniferum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CYLSETANLGKLICIPMALRAAMELNVFQLISKFGTDAKVSASEIASKMP
NAKNNPEAAMYLDRILRLLGASSILSVSTTAASINDVVVHEKLYGLTNSS
CCLVPRQEDGVSLVEELLFTSDKVVVDSFFKLKCVVEEKDSVPFEVAHGA
KIFEYAATEPRMNQVFNDGMAVFSIVVFEAVFRVYDGFLDMKELLDVGGG
IGTSVSKIVAKYPLIRGVNFDLPHVISVAPQYPGVEHVAGDMFEEVPKGQ
NMLLKWVLHDWGDERCVKLLKNCWNSLPVGGKVLIIEFVLPNELGNNAES
FNALIPDLLLMALNPGGKERTISEYDDLGKAAGFIKTIPIPISNGLHVIE
FHK
Ligand information
Ligand IDH68
InChIInChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
InChIKeyKDFKJOFJHSVROC-INIZCTEOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC
OpenEye OEToolkits 2.0.6COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)O)OC
CACTVS 3.385COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC
CACTVS 3.385COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(OC)c4OC
FormulaC20 H23 N O4
NameTetrahydrocolumbamine
ChEMBLCHEMBL2334891
DrugBank
ZINCZINC000030725153
PDB chain6i6l Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6i6l Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Resolution1.29 Å
Binding residue
(original residue number in PDB)		E153 M207 F210 W293 H296 D297 N339 I342 P343 L347
Binding residue
(residue number reindexed from 1)		E116 M170 F173 W256 H259 D260 N302 I305 P306 L310
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.1.1.117: (S)-scoulerine 9-O-methyltransferase.
2.1.1.89: tetrahydrocolumbamine 2-O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0030762 tetrahydrocolumbamine 2-O-methyltransferase activity
GO:0030777 (S)-scoulerine 9-O-methyltransferase activity
GO:0046983 protein dimerization activity
Biological Process
GO:0009708 benzyl isoquinoline alkaloid biosynthetic process
GO:0009820 alkaloid metabolic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6i6l, PDBe:6i6l, PDBj:6i6l
PDBsum6i6l
PubMed
UniProtI3V6A7|SOMT1_PAPSO Scoulerine-9-O-methyltransferase 1 (Gene Name=SOMT1)

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