Structure of PDB 3ssn Chain D Binding Site BS02

Receptor Information
>3ssn Chain D (length=393) Species: 28040 (Micromonospora griseorubida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEFDEATVQDVVRLAGGHDSELRELTQKYDPAMISRLLVAEILSRCPPPS
NDTPVLVELAIVHGSERFRHFLRVVRDSPIRPVGADEGFVGMLVEYELTE
LLRELFGVTHERPAGVRGTKLFPYLTDDEEAVEQIGTYLLAAQQGTEAVL
AGCGSRKPDLSELSSRYFTPKFGFLHWFTPHYDRHFRDYRNQQVRVLEIG
VGGYKHPEWGGGSLRMWKSFFPRGQIYGLDIMDKSHVDELRIRTIQGDQN
DAEFLDRIARRYGPFDIVIDDGSHINAHVRTSFAALFPHVRPGGLYVIED
MWTAYWPGFGGQADPQECSGTSLGLLKSLIDAIQHQELPSDPNRSPGYVD
RNIVGLHVYHNVAFVEKGRNDEGGIPTWIPRDFESLVQASSGG
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3ssn Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ssn A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
Resolution2.392 Å
Binding residue
(original residue number in PDB)		D275 D304
Binding residue
(residue number reindexed from 1)		D271 D300
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3ssn, PDBe:3ssn, PDBj:3ssn
PDBsum3ssn
PubMed21884704
UniProtQ83WF2|MYCE_MICGR Mycinamicin VI 2''-O-methyltransferase (Gene Name=mycE)

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