Structure of PDB 6b5k Chain A Binding Site BS02

Receptor Information

>6b5k Chain A (length=277) Species: 83332 (Mycobacterium tuberculosis H37Rv)

MRGIILAGGSGTRLYPITMGISKQLLPVYDKPMIYYPLTTLMMAGIRDIQ
LITTPHDAPGFHRLLGDGAHLGVNISYATQDQPDGLAQAFVIGANHIGAD
SVALVLGDNIFYGPGLGTSLKRFQSISGGAIFAYWVANPSAYGVVEFLSL
EEKPKSNYAVPGLYFYDNDVIEIARGLKKSARGEYEITEVNQVYLNQGRL
AVEVLARGTAWLDTGTFDSLLDAADFVRTLERRQGLKVSIPEEVAWRMGW
IDDEQLVQRARALVKSGYGNYLLELLE

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: 6b5k Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6b5k The structure of glucose-1-phosphate thymidylyltransferase from Mycobacterium tuberculosis reveals the location of an essential magnesium ion in the RmlA-type enzymes.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): D108 D222
• Binding residue (residue number reindexed from 1): D108 D213
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.24: glucose-1-phosphate thymidylyltransferase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0008879 glucose-1-phosphate thymidylyltransferase activity
• GO:0016779 nucleotidyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006006 glucose metabolic process
• GO:0009058 biosynthetic process
• GO:0019305 dTDP-rhamnose biosynthetic process
• GO:0045226 extracellular polysaccharide biosynthetic process
• GO:0046075 dTTP metabolic process

Cellular Component

• GO:0005886 plasma membrane
• GO:0009274 peptidoglycan-based cell wall

External links

• PDB: RCSB:6b5k, PDBe:6b5k, PDBj:6b5k
• PDBsum: 6b5k
• PubMed: 29076563
• UniProt: P9WH13|RMLA_MYCTU Glucose-1-phosphate thymidylyltransferase (Gene Name=rmlA)