9XHL

Enzyme directed charge redistribution of substrate underlies regioselectivity in CO2 fixation by salicylic acid decarboxylase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Salicylate decarboxylase	polymer	350	39786.7	2	UniProt (P0CT50)	Cutaneotrichosporon moniliiforme	Salicylic acid decarboxylase
2	C, D (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
3	E, F (A, B)	water	water		18.0	599	Chemie (HOH)

Sequence modifications

A, B: 1 - 350 (UniProt: P0CT50)

PDB	External Database	Details
Ala 23	Lys 23	conflict
Ala 27	Tyr 27	conflict
Thr 64	Tyr 64	conflict
Asp 291	Glu 291	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79573.4
Non-Polymers*	Number of molecules	2
	Total formula weight	48.6
All*	Total formula weight	79622.1

*Water molecules are not included.