3C9T

AaThiL complexed with AMPPCP and TMP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Thiamine monophosphate kinase	polymer	342	38469.9	2	UniProt (O67883) Pfam (PF00586) In PDB	Aquifex aeolicus
2	A, B	MAGNESIUM ION	non-polymer		24.3	10	Chemie (MG)
3	A, B	THIAMIN PHOSPHATE	non-polymer		345.3	2	Chemie (TPS)
4	A, B	PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER	non-polymer		505.2	2	Chemie (ACP)
5		water	water		18.0	14	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	1944.1
All*	Total formula weight	78884.0

*Water molecules are not included.