2DD5

Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus native holo-enzyme

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, G, J (A, D, G, J)	Thiocyanate hydrolase alpha subunit	polymer	126	14507.2	4	UniProt (O66187) Pfam (PF02211)	Thiobacillus thioparus	SCNase alpha subunit
2	B, E, H, K (B, E, H, K)	Thiocyanate hydrolase beta subunit	polymer	157	18065.5	4	UniProt (O66186) Pfam (PF21006)	Thiobacillus thioparus	SCNase beta subunit
3	C, F, I, L (C, F, I, L)	Thiocyanate hydrolase gamma subunit	polymer	243	27619.4	4	UniProt (O66188) Pfam (PF02979)	Thiobacillus thioparus	SCNase gamma subunit containing cobalt centers
4	AA, BA, M, O, P... (L, A, C, D, F...)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
5	N, Q, T, Y (C, F, I, L)	COBALT (III) ION	non-polymer		58.9	4	Chemie (3CO)
6	CA, DA, EA, FA, GA... (A, B, C, D, E...)	water	water		18.0	2190	Chemie (HOH)

Sequence modifications

A, D, G, J: 2 - 126 (UniProt: O66187)

PDB	External Database	Details
Met 1	-	initiating methionine

B, E, H, K: 2 - 157 (UniProt: O66186)

PDB	External Database	Details
Met 1	-	initiating methionine

C, F, I, L: 2 - 243 (UniProt: O66188)

PDB	External Database	Details
Met 1	-	initiating methionine
Csd 131	Cys 130	modified residue
Cso 133	Cys 132	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	240768.5
Non-Polymers*	Number of molecules	16
	Total formula weight	1388.5
All*	Total formula weight	242157.0

*Water molecules are not included.