2JI9

X-ray structure of Oxalyl-CoA decarboxylase in complex with 3-deaza- ThDP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	OXALYL-COA DECARBOXYLASE	polymer	568	60749.9	2	UniProt (P40149) Pfam (PF02776) Pfam (PF00205) Pfam (PF02775) In PDB	OXALOBACTER FORMIGENES	OXALYL-COENZYMEA DECARBOXYLASE
2	A, B	2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE	non-polymer		423.3	2	Chemie (TPW)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
5	A, B	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	2	Chemie (B3P)
6		water	water		18.0	616	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	121499.7
Non-Polymers*	Number of molecules	8
	Total formula weight	2314.3
All*	Total formula weight	123814.1

*Water molecules are not included.