Structure of PDB 7mcj Chain B Binding Site BS02

Receptor Information

>7mcj Chain B (length=274) Species: 83332 (Mycobacterium tuberculosis H37Rv)

SIYDVSDEFFSLFLDPTMAYTCAYFEREDMTLEEAQNAKFDLALDKLHLE
PGMTLLDIGCGWGGGLQRAIENYDVNVIGITLSRNQFEYSKAKLAKIPTE
RSVQVRLQGWDEFTDKVDRIVSIGAFEAFKMERYAAFFERSYDILPDDGR
MLLHTILTYTQKQMHEMGVKVTMSDVRFMKFIGEEIFPGGQLPAQEDIFK
FAQAADFSVEKVQLLQQHYARTLNIWAANLEANKDRAIALQSEEIYNKYM
HYLTGCEHFFRKGISNVGQFTLTK

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: 7mcj Chain B Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mcj Crystal Structure of S-adenosylmethionine-dependent methyltransferase UmaA from Mycobacterium tuberculosis in complex with compound 8918
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): G71 I135
• Binding residue (residue number reindexed from 1): G59 I123
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.1.1.-

Gene Ontology

Molecular Function

• GO:0008168 methyltransferase activity

Biological Process

• GO:0006629 lipid metabolic process
• GO:0008610 lipid biosynthetic process
• GO:0032259 methylation
• GO:0071768 mycolic acid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005886 plasma membrane

External links

• PDB: RCSB:7mcj, PDBe:7mcj, PDBj:7mcj
• PDBsum: 7mcj
• UniProt: Q6MX39|UMAA_MYCTU S-adenosylmethionine-dependent methyltransferase UmaA (Gene Name=umaA)