5DD7

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

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	317	34959.7	2	UniProt (A0A0D5YC82) Pfam (PF00586) Pfam (PF02769)	Acinetobacter baumannii	Thiamine-phosphate kinase
2	C, R (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
3	D, E, K, L, M... (A, B)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
4	F, G, H, Q, T... (A, B)	POTASSIUM ION	non-polymer		39.1	6	Chemie (K)
5	I, V (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	J, N (A, B)	THIAMIN PHOSPHATE	non-polymer		345.3	2	Chemie (TPS)
7	W, X (A, B)	water	water		18.0	493	Chemie (HOH)

Sequence modifications

A, B: 1 - 305 (UniProt: A0A0D5YC82)

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
Gln 306	-	expression tag
Gln 307	-	expression tag
Arg 308	-	expression tag
Trp 309	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69919.3
Non-Polymers*	Number of molecules	20
	Total formula weight	2256.2
All*	Total formula weight	72175.5

*Water molecules are not included.