Structure of PDB 2efj Chain A

Receptor sequence
>2efjA (length=348) Species: 49390 (Coffea canephora) [Search protein sequence]
LQEVLHMNGTSYAKNSSYNLFLIRVKPVLEQCIQELLRANLPNINKCFKV
GDLGCASGPNTFSTVRDIVQSIDKVPTIQIFLNDLFQNDFNSVFKLLPSF
YRNLEKENGRKIGSCLIGAMPGSFYSRLFPEESMHFLHSCYCLHWLSQVP
SGISVNKGCIYSSKASRPPIQKAYLDQFTKDFTTFLRIHSEELISRGRML
LTFICKEDEFDHPNSMDLLEMSINDLVIEGHLEEEKLDSFNVPIYAPSTE
EVKRIVEEEGSFEILYLETFNAPYDAGFSISPVSCDEHARAAHVASVVRS
IYEPILASHFGEAILPDLSHRIAKNAAKVLRSGKGFYDSVIISLAKKP
3D structure
PDB2efj The structure of two N-methyltransferases from the caffeine biosynthetic pathway
ChainA
Resolution2.0 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.1.1.160: caffeine synthase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 SAH A L7 M9 Y18 G60 A62 N66 D100 L101 S139 F140 Y141 C156 Y157 C158 L5 M7 Y12 G54 A56 N60 D84 L85 S123 F124 Y125 C140 Y141 C142
BS02 37T A F27 Y157 H160 I226 S237 I332 Y368 F21 Y141 H144 I204 S215 I301 Y337
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0046872 metal ion binding
GO:0102741 caffeine synthase activity
Biological Process
GO:0009820 alkaloid metabolic process
GO:0032259 methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:2efj, PDBe:2efj, PDBj:2efj
PDBsum2efj
PubMed17434991
UniProtA4GE70|DXMT1_COFCA 3,7-dimethylxanthine N-methyltransferase (Gene Name=DXMT)

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