Structure of PDB 4xdt Chain A Binding Site BS02

Receptor Information

>4xdt Chain A (length=330) Species: 243276 (Treponema pallidum subsp. pallidum str. Nichols)

ARVREYSRAELVIGTLCRVRVYSKRPAAEVHAALEEVFTLLQQQEMVLSA
YRDDSALAALNAQAGSAPVVVDRSLYALLERALFFAEKSGGAFNPALGAV
VKLWNIGFDRAAVPDPDALKEALTRCDFRQVHLRAGVSVGAPHTVQLAQA
GMQLDLGAIAKGFLADKIVQLLTAHALDSALVDLGGNIFALGLKYGAQRL
EWNVGIRDPHGTGQKPALVVSVRDCSVVTSGAYERFFERDGVRYHHIIDP
VTGFPAHTDVDSVSIFAPRSTDADALATACFVLGYEKSCALLREFPGVDA
LFIFPDKRVRASAGIVDRVRVLDARFVLER

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: 4xdt Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xdt Evidence for Posttranslational Protein Flavinylation in the Syphilis Spirochete Treponema pallidum: Structural and Biochemical Insights from the Catalytic Core of a Periplasmic Flavin-Trafficking Protein.
• Resolution: 1.452 Å
• Binding residue (original residue number in PDB): A162 D284 T288
• Binding residue (residue number reindexed from 1): A158 D274 T278
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.180: FAD:protein FMN transferase.

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0017013 protein flavinylation

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:4xdt, PDBe:4xdt, PDBj:4xdt
• PDBsum: 4xdt
• PubMed: 25944861
• UniProt: O83774|APBE_TREPA FAD:protein FMN transferase (Gene Name=apbE)