Structure of PDB 7uf1 Chain A Binding Site BS01

Receptor Information

>7uf1 Chain A (length=215) Species: 666 (Vibrio cholerae)

QSSLLAEFGDPITRVENALQALREGRGVLLLDDEDRENEGDIIYAVESLT
TAQMALMIRECSGIVCLCLTEAQADRLALPPMVVNNNSANQTAFTVSIEA
KHGVTTGVSAQDRVTTIKTAANPQAKPEDLARPGHVFPLRARAGGVLARR
GHTEGTVDLMQMAGLQPAGVLCELTNPDGSMAKTPEIIEFGKLHNMPVLT
IEDMVQYRIQFDLKL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 7uf1 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7uf1 Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): E39 H154
• Binding residue (residue number reindexed from 1): E37 H152
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.99.12: 3,4-dihydroxy-2-butanone-4-phosphate synthase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0008686 3,4-dihydroxy-2-butanone-4-phosphate synthase activity
• GO:0016829 lyase activity
• GO:0030145 manganese ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0009231 riboflavin biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:7uf1, PDBe:7uf1, PDBj:7uf1
• PDBsum: 7uf1
• PubMed: 35802469
• UniProt: Q9KKP2|RIBB_VIBCH 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=ribB)