Structure of PDB 6e05 Chain B Binding Site BS01

Receptor Information

>6e05 Chain B (length=226) Species: 83332 (Mycobacterium tuberculosis H37Rv)

GGTILVVTGTGTGVGKTVVCAALASAARQAGIDVAVCKPVQTGTARGDDD
LAEVGRLAGVTQLAGLARYPQPMAPAAAAEHAGMALPARDQIVRLIADLD
RPGRLTLVEGAGGLLVELAEPGVTLRDVAVDVAAAALVVVTADLGTLNHT
KLTLEALAAQQVSCAGLVIGSWPDPPGLVAASNRSALARIAMVRAALPAG
AASLDAGDFAAMSAAAFDRNWVAGLV

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: 6e05 Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6e05 Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): T16 D49 E108
• Binding residue (residue number reindexed from 1): T17 D50 E109
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T11 G12 K15 T16 K37 T41 G54 E108
• Catalytic site (residue number reindexed from 1): T12 G13 K16 T17 K38 T42 G55 E109
• Enzyme Commision number: 6.3.3.3: dethiobiotin synthase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004141 dethiobiotin synthase activity
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009102 biotin biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:6e05, PDBe:6e05, PDBj:6e05
• PDBsum: 6e05
• PubMed: 30289406
• UniProt: P9WPQ5|BIOD_MYCTU Dethiobiotin synthetase BioD (Gene Name=bioD)