Structure of PDB 6h40 Chain A Binding Site BS03

Receptor Information
>6h40 Chain A (length=220) Species: 1122247 (Mycolicibacterium hassiacum DSM 44199) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDIRDTDALFALADRVTGFMPADEGRTLYETAVRYLGDGVGVEIGTYCGK
STVLLGAAARQTGGVVFTVDHHHGSEEHQPGWEYHDPSLVDPVTGLFDTL
PRLRHTLDEADLYDHVVAVVGKSAVVARGWRTPLRFLFIDGGHTEEAAQR
DFDGWARWVEVGGALVIHDVFPDPKDGGQAPFHIYQRALNTGDFREVNAY
GSMRVLERTSGIAGQPLKLA
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 chain6h40 Chain A Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6h40 Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides.
Resolution1.053 Å
Binding residue
(original residue number in PDB)		D141 H169 D170
Binding residue
(residue number reindexed from 1)		D140 H168 D169
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.365: MMP 1-O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0030206 chondroitin sulfate biosynthetic process
GO:0032259 methylation
GO:0071770 DIM/DIP cell wall layer assembly
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6h40, PDBe:6h40, PDBj:6h40
PDBsum6h40
PubMed30606802
UniProtK5B7F3|MET1_MYCHD MMP 1-O-methyltransferase (Gene Name=meT1)

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