Structure of PDB 6jcl Chain C Binding Site BS01

Receptor Information
>6jcl Chain C (length=216) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQPNPPDVDAFLDSTLVGDDPALAAALAASDAAELPRIAVSAQQGKFLCL
LAGAIQARRVLEIGTLGGFSTIWLARGAGPQGRVVTLEYQPKHAEVARVN
LQRAGVADRVEVVVGPALDTLPTLAGGPFDLVFIDADKENNVAYIQWAIR
LARRGAVIVVDNVIRGGGILAESDDADAVAARRTLQMMGEHPGLDATAIQ
TVGRKGWDGFALALVR
Ligand information
Ligand IDSR
InChIInChI=1S/Sr/q+2
InChIKeyPWYYWQHXAPXYMF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Sr++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Sr+2]
FormulaSr
NameSTRONTIUM ION
ChEMBL
DrugBank
ZINC
PDB chain6jcl Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jcl Structural and biochemical characterization of Rv0187, an O-methyltransferase from Mycobacterium tuberculosis.
Resolution1.644 Å
Binding residue
(original residue number in PDB)		D179 D181
Binding residue
(residue number reindexed from 1)		D175 D177
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.6: catechol O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0016206 catechol O-methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0032259 methylation
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:6jcl, PDBe:6jcl, PDBj:6jcl
PDBsum6jcl
PubMed31147608
UniProtO07431|CAMT_MYCTU Catechol O-methyltransferase (Gene Name=Rv0187)

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