Structure of PDB 2iyy Chain A Binding Site BS02

Receptor Information

>2iyy Chain A (length=169) Species: 83332 (Mycobacterium tuberculosis H37Rv)

APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFAT
DGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLE
ISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTN
RRNPGAVVRHILSRLQVPS

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 2iyy Chain A Residue 204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2iyy Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis.
• Resolution: 1.62 Å
• Binding residue (original residue number in PDB): K15 G80
• Binding residue (residue number reindexed from 1): 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:2iyy, PDBe:2iyy, PDBj:2iyy
• PDBsum: 2iyy
• PubMed: 17020768
• UniProt: P9WPY3|AROK_MYCTU Shikimate kinase (Gene Name=aroK)