Structure of PDB 4ig1 Chain A Binding Site BS02

Receptor Information

>4ig1 Chain A (length=328) Species: 243276 (Treponema pallidum subsp. pallidum str. Nichols)

VREYSRAELVIGTLCRVRVYSKRPAAEVHAALEEVFTLLQQQEMVLSANR
DDSALAALNAQAGSAPVVVDRSLYALLERALFFAEKSGGAFNPALGAVVK
LWNIGFDRAAVPDPDALKEALTRCDFRQVHLRAGVSVGAPHTVQLAQAGM
QLDLGAIAKGFLADKIVQLLTAHALDSALVDLGGNIFALGLKYGAQRLEW
NVGIRDPHGTGQKPALVVSVRDCSVVTSGAYERFFERDGVRYHHIIDPVT
GFPAHTDVDSVSIFAPRSTDADALATACFVLGYEKSCALLREFPGVDALF
IFPDKRVRASAGIVDRVRVLDARFVLER

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: 4ig1 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ig1 The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis.
• Resolution: 1.4318 Å
• Binding residue (original residue number in PDB): A162 D284 T288
• Binding residue (residue number reindexed from 1): A156 D272 T276
• 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:4ig1, PDBe:4ig1, PDBj:4ig1
• PDBsum: 4ig1
• PubMed: 23447540
• UniProt: O83774|APBE_TREPA FAD:protein FMN transferase (Gene Name=apbE)