Structure of PDB 6h40 Chain A Binding Site BS01

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 IDFW5
InChIInChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKeyPSJBSUHYCGQTHZ-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6COCC(CO)O
OpenEye OEToolkits 2.0.6COC[C@H](CO)O
CACTVS 3.385COC[CH](O)CO
CACTVS 3.385COC[C@@H](O)CO
FormulaC4 H10 O3
Name(2~{S})-3-methoxypropane-1,2-diol
ChEMBL
DrugBank
ZINCZINC000001866958
PDB chain6h40 Chain A Residue 604 [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)		F20 E78 H79 Y85 D141 H144 D170
Binding residue
(residue number reindexed from 1)		F19 E77 H78 Y84 D140 H143 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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