4MET

Assigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Oxalate decarboxylase OxdC	polymer	388	44091.3	4	UniProt (O34714) Pfam (PF00190) In PDB	Bacillus subtilis subsp. subtilis
2	A, B, C, D	COBALT (II) ION	non-polymer		58.9	8	Chemie (CO)
3		water	water		18.0	389	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 382 (UniProt: O34714)

PDB	External Database	Details
Phe 132	Trp 132	engineered mutation
His 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	176365.3
Non-Polymers*	Number of molecules	8
	Total formula weight	471.5
All*	Total formula weight	176836.8

*Water molecules are not included.