Structure of PDB 6bwh Chain B Binding Site BS01

Receptor Information

>6bwh Chain B (length=207) Species: 83332 (Mycobacterium tuberculosis H37Rv)

DGDIGLIIAVKRLAAAKTRLAPVFSAQTRENVVLAMLVDTLTAAAGVGSL
RSITVITPDEAAAAAAAGLGADVLADPTPEDDPDPLNTAITAAERVVAEG
ASNIVVLQGDLPALQTQELAEAISAARHHRRSFVADRLGTGTAVLCAFGT
ALHPRFGPDSSARHRRSGAVELTGAWPGLRCDVDTPADLTAARQLGVGPA
TARAVAH

Ligand information

• Ligand ID: PEP
• InChI: InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
• InChIKey: DTBNBXWJWCWCIK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C=C(C(=O)O)OP(=O)(O)O
  CACTVS 3.341: OC(=O)C(=C)O[P](O)(O)=O
  ACDLabs 10.04: O=C(O)C(\OP(=O)(O)O)=C
• Formula: C3 H5 O6 P
• Name: PHOSPHOENOLPYRUVATE
• ChEMBL: CHEMBL1235228
• DrugBank: DB01819
• ZINC: ZINC000003870145
• PDB chain: 6bwh Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6bwh A revised biosynthetic pathway for the cofactor F420in prokaryotes.
• Resolution: 2.18 Å
• Binding residue (original residue number in PDB): T148 F162 G163 S166 D190
• Binding residue (residue number reindexed from 1): T142 F156 G157 S160 D184
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 2.7.7.105: phosphoenolpyruvate guanylyltransferase.

Gene Ontology

Molecular Function

• GO:0005525 GTP binding
• GO:0016779 nucleotidyltransferase activity
• GO:0043814 phospholactate guanylyltransferase activity
• GO:0070568 guanylyltransferase activity

Biological Process

• GO:0052645 F420-0 metabolic process

External links

• PDB: RCSB:6bwh, PDBe:6bwh, PDBj:6bwh
• PDBsum: 6bwh
• PubMed: 30952857
• UniProt: P9WP83|FBID_MYCTU Phosphoenolpyruvate guanylyltransferase (Gene Name=fbiD)