3C9U

AaThiL complexed with ADP and TPP

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	342	38469.9	2	UniProt (O67883) Pfam (PF00586)	Aquifex aeolicus
2	C, D, E, F, G... (A, B)	MAGNESIUM ION	non-polymer		24.3	10	Chemie (MG)
3	I, P (A, B)	THIAMINE DIPHOSPHATE	non-polymer		425.3	2	Chemie (TPP)
4	J, O (A, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
5	Q, R (A, B)	water	water		18.0	547	Chemie (HOH)

Sequence modifications

A, B: 1 - 306 (UniProt: O67883)

PDB	External Database	Details
Met -35	-	expression tag
Gly -34	-	expression tag
Ser -33	-	expression tag
His -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
Asp -26	-	expression tag
Ile -25	-	expression tag
Thr -24	-	expression tag
Ser -23	-	expression tag
Leu -22	-	expression tag
Tyr -21	-	expression tag
Lys -20	-	expression tag
Lys -19	-	expression tag
Ala -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Ala -15	-	expression tag
Ala -14	-	expression tag
Ala -13	-	expression tag
Val -12	-	expression tag
Leu -11	-	expression tag
Glu -10	-	expression tag
Glu -9	-	expression tag
Asn -8	-	expression tag
Leu -7	-	expression tag
Tyr -6	-	expression tag
Phe -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Phe -1	-	expression tag
Thr 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76939.9
Non-Polymers*	Number of molecules	14
	Total formula weight	1948.1
All*	Total formula weight	78887.9

*Water molecules are not included.