Structure of PDB 1eye Chain A Binding Site BS01

Receptor Information

>1eye Chain A (length=256) Species: 83332 (Mycobacterium tuberculosis H37Rv)

PVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGETSR
VIPVVKELAAQGITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGP
LLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAG
VDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGA
LLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVE
AWMGAE

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: 1eye Chain A Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1eye Crystal structure of Mycobacterium tuberculosis 7,8-dihydropteroate synthase in complex with pterin monophosphate: new insight into the enzymatic mechanism and sulfa-drug action.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): N13 D21 H255
• Binding residue (residue number reindexed from 1): N9 D17 H237
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K213 R253
• Catalytic site (residue number reindexed from 1): K195 R235
• Enzyme Commision number: 2.5.1.15: dihydropteroate synthase.

Gene Ontology

Molecular Function

• GO:0004156 dihydropteroate synthase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009396 folic acid-containing compound biosynthetic process
• GO:0042558 pteridine-containing compound metabolic process
• GO:0044237 cellular metabolic process
• GO:0046654 tetrahydrofolate biosynthetic process
• GO:0046656 folic acid biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:1eye, PDBe:1eye, PDBj:1eye
• PDBsum: 1eye
• PubMed: 11007651
• UniProt: P9WND1|DHPS1_MYCTU Dihydropteroate synthase (Gene Name=folP1)