Structure of PDB 3epo Chain A

Receptor sequence

>3epoA (length=523) Species: 155892 (Caulobacter vibrioides)

STIKAVAETISTGPIPGSRKVYQAGELFPELRVPFREVAVHPSANEPPVT
IYDPSGPYSDPAIQIDIEKGLPRTREALVVARGDVEEVADPRQVPEFPDT
GRKIYRAKPGKLVTQLEYARAGIITAEMEYVAIRENLRREQDRPCVRDGE
DFGASIPDFVTPEFVRQEIARGRAIIPANINHGELEPMAIGRNFLVKINA
NIGNTVADEVDKLVWATRWGADTVMDLSTGRNIHNIRDWIIRNSSVPIGT
VPIYQALEKVNGVAEDLNWEVFRDTLIEQCEQGVDYFTIHAGVRLPFIPM
TAKRVTGIVSRGGSIMAKWCLAHHKENFLYERFDEICEIMRAYDVSFSLG
DGLRPGSTADANDEAQFSELRTLGELTKVAWKHGVQVMIEGPGHVAMHKI
KANMDEQLKHCHEAPFYTLGPLTTDIAPGYDHITSAIGAAMIGWFGTAML
CYVTPKEHLGLPDRDDVKTGVITYKLAAHAADLAKGHPGAAMWDDAISRA
RFEFRWEDQFNLGLDPETARKFH

3D structure

• PDB: 3epo Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily
• Chain: A
• Resolution: 2.1 Å

Enzymatic activity

• Enzyme Commision number: 4.1.99.17: phosphomethylpyrimidine synthase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MP5	A	Y277 H313 S333 R334 G335 R377 E413 Y440	Y254 H290 S310 R311 G312 R354 E390 Y417

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0016830 carbon-carbon lyase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding
• GO:0070284 4-amino-5-hydroxymethyl-2-methylpyrimidine phosphate synthase activity

Biological Process

• GO:0009228 thiamine biosynthetic process
• GO:0009229 thiamine diphosphate biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3epo, PDBe:3epo, PDBj:3epo
• PDBsum: 3epo
• PubMed: 18953358
• UniProt: Q9A6Q5|THIC_CAUVC Phosphomethylpyrimidine synthase (Gene Name=thiC)