4KYS

Clostridium botulinum thiaminase I in complex with thiamin

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)	Thiamine pyridinylase I	polymer	427	49009.8	2	UniProt (A7FS27)	Clostridium botulinum	Cb-thiaminase I
2	C, G (A, B)	3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM	non-polymer		265.4	2	Chemie (VIB)
3	D, H (A, B)	CITRIC ACID	non-polymer		192.1	2	Chemie (CIT)
4	E, F, I, J (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	K, L (A, B)	water	water		18.0	430	Chemie (HOH)

Sequence modifications

A, B: 1 - 404 (UniProt: A7FS27)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Asp -19	-	expression tag
Lys -18	-	expression tag
Ile -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Ser 143	Cys 143	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	98019.6
Non-Polymers*	Number of molecules	8
	Total formula weight	1012.2
All*	Total formula weight	99031.8

*Water molecules are not included.