Structure of PDB 2vi5 Chain B Binding Site BS03

Receptor Information

>2vi5 Chain B (length=147) Species: 1773 (Mycobacterium tuberculosis)

DASGVRLAIVASSWHGKICDALLDGARKVAAGCGLDDPTVVRVLGAIEIP
VVAQELARNHDAVVALGVVIRGQTPHFDYVCDAVTQGLTRVSLDSSTPIA
NGVLTTNTEEQALDRAGLPTSAEDKGAQATVAALATALTLRELRAHS

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: 2vi5 Chain B Residue 702

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2vi5 A New Series of N-[2,4-Dioxo-6-D-Ribitylamino-1,2, 3,4-Tetrahydropyrimidin-5-Yl]Oxalamic Acid Derivatives as Inhibitors of Lumazine Syntase and Riboflavin Synthase: Design, Synthesis, Biochemical Evaluation, Crystallography and Mechanistic Implications.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): G85 T87
• Binding residue (residue number reindexed from 1): G72 T74
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H89
• Catalytic site (residue number reindexed from 1): H76
• Enzyme Commision number: 2.5.1.78: 6,7-dimethyl-8-ribityllumazine synthase.

Gene Ontology

Molecular Function

• GO:0000906 6,7-dimethyl-8-ribityllumazine synthase activity
• GO:0016740 transferase activity

Biological Process

• GO:0009231 riboflavin biosynthetic process

Cellular Component

• GO:0005829 cytosol
• GO:0009349 riboflavin synthase complex

External links

• PDB: RCSB:2vi5, PDBe:2vi5, PDBj:2vi5
• PDBsum: 2vi5
• PubMed: 18331058
• UniProt: P9WHE9|RISB_MYCTU 6,7-dimethyl-8-ribityllumazine synthase (Gene Name=ribH)