Structure of PDB 2dfn Chain A Binding Site BS01

Receptor Information

>2dfn Chain A (length=165) Species: 1773 (Mycobacterium tuberculosis)

APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFAT
DGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLE
ISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTN
RRNPGAVVRHILSRL

Ligand information

• Ligand ID: CL
• InChI: InChI=1S/ClH/h1H/p-1
• InChIKey: VEXZGXHMUGYJMC-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Cl-]
• Formula: Cl
• Name: CHLORIDE ION
• DrugBank: DB14547
• PDB chain: 2dfn Chain A Residue 1180

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2dfn Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis
• Resolution: 1.93 Å
• Binding residue (original residue number in PDB): P11 K15 G80
• Binding residue (residue number reindexed from 1): P10 K14 G79
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.71: shikimate kinase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004765 shikimate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008652 amino acid biosynthetic process
• GO:0009073 aromatic amino acid family biosynthetic process
• GO:0009423 chorismate biosynthetic process
• GO:0016310 phosphorylation
• GO:0019632 shikimate metabolic process
• GO:0019752 carboxylic acid metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2dfn, PDBe:2dfn, PDBj:2dfn
• PDBsum: 2dfn
• PubMed: 17183161
• UniProt: P9WPY3|AROK_MYCTU Shikimate kinase (Gene Name=aroK)