Structure of PDB 3sso Chain E Binding Site BS01

Receptor Information

>3sso Chain E (length=394) Species: 28040 (Micromonospora griseorubida)

EFDEATVQDVVRLAGGHDSELRELTQKYDPAMISRLLVAEILSRCPPPSN
DTPVLVELAIVHGSERFRHFLRVVRDSPIRPVGADEGFVGMLVEYELTEL
LRELFGVTHERPAGVRGTKLFPYLTDDEEAVEQIGTYLLAAQQGTEAVLA
GCGSRKPDLSELSSRYFTPKFGFLHWFTPHYDRHFRDYRNQQVRVLEIGV
GGYKHPEWGGGSLRMWKSFFPRGQIYGLDIMDKSHVDELRIRTIQGDQND
AEFLDRIARRYGPFDIVIDDGSHINAHVRTSFAALFPHVRPGGLYVIEDM
WTAYWPGFGGQADPQECSGTSLGLLKSLIDAIQHQELPSDPNRSPGYVDR
NIVGLHVYHNVAFVEKGRNDEGGIPTWIPRDFESLVQASSGGAT

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: 3sso Chain E Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3sso A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
• Resolution: 1.895 Å
• Binding residue (original residue number in PDB): D275 E303 D304
• Binding residue (residue number reindexed from 1): D270 E298 D299
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.238: mycinamicin VI 2''-O-methyltransferase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0008168 methyltransferase activity
• GO:0008171 O-methyltransferase activity
• GO:0046872 metal ion binding
• GO:0102302 mycinamicin VI 2''-O-methyltransferase activity

Biological Process

• GO:0017000 antibiotic biosynthetic process
• GO:0032259 methylation
• GO:0051289 protein homotetramerization

External links

• PDB: RCSB:3sso, PDBe:3sso, PDBj:3sso
• PDBsum: 3sso
• PubMed: 21884704
• UniProt: Q83WF2|MYCE_MICGR Mycinamicin VI 2''-O-methyltransferase (Gene Name=mycE)