5CC8

Structure of thiamine-monophosphate kinase from Acinetobacter baumannii in complex with AMPPNP

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-monophosphate kinase	polymer	313	34360.0	2	UniProt (F5HTN4)	Acinetobacter baumannii	Thiamine-phosphate kinase
2	C, O (A)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
3	D, F, G, H, L... (A, B)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
4	E, K (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	I, J, M, N (A)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
6	Q, R (A, B)	water	water		18.0	549	Chemie (HOH)

Sequence modifications

A, B: 1 - 305 (UniProt: F5HTN4)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68720.0
Non-Polymers*	Number of molecules	14
	Total formula weight	1385.5
All*	Total formula weight	70105.5

*Water molecules are not included.