Structure of PDB 3cbg Chain A Binding Site BS01

Receptor Information

>3cbg Chain A (length=218) Species: 1148 (Synechocystis sp. PCC 6803)

KGITGFDPSLYSYLQSISADDSFYLAQLRRETAHLPGAPMQISPEQAQFL
GLLISLTGAKQVLEIGVFRGYSALAMALQLPPDGQIIACDQDPNATAIAK
KYWQKAGVAEKISLRLGPALATLEQLTQGKPLPEFDLIFIDADKRNYPRY
YEIGLNLLRRGGLMVIDNVLWHGKVTEVDPQEAQTQVLQQFNRDLAQDER
VRISVIPLGDGMTLALKK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3cbg Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3cbg Functional and Structural Characterization of a Cation-dependent O-Methyltransferase from the Cyanobacterium Synechocystis sp. Strain PCC 6803
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D143 D169 N170
• Binding residue (residue number reindexed from 1): D141 D167 N168
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D143 K146 D169 N170
• Catalytic site (residue number reindexed from 1): D141 K144 D167 N168
• Enzyme Commision number: 2.1.1.-

Gene Ontology

Molecular Function

• GO:0008168 methyltransferase activity
• GO:0008171 O-methyltransferase activity
• GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0032259 methylation

External links

• PDB: RCSB:3cbg, PDBe:3cbg, PDBj:3cbg
• PDBsum: 3cbg
• PubMed: 18502765
• UniProt: Q55813