6NON

Structure of Cyanthece apo McdA

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)	Cobyrinic acid ac-diamide synthase	polymer	271	29325.7	2	UniProt (B7KMS4) Pfam (PF13614)	Cyanothece	McdA
2	C (B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
3	D (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	E, F (A, B)	water	water		18.0	79	Chemie (HOH)

Sequence modifications

A, B: 2 - 251 (UniProt: B7KMS4)

PDB	External Database	Details
Mse -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Mse 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	58651.4
Non-Polymers*	Number of molecules	2
	Total formula weight	451.5
All*	Total formula weight	59102.9

*Water molecules are not included.