8YKU

PaThiL in complex with AMP-PNP 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 (A)	Thiamine-monophosphate kinase	polymer	344	35495.4	1	UniProt (A0A232BM78) Pfam (PF00586) Pfam (PF02769) UniProt (by SIFTS) (Q9HWX7)	Pseudomonas aeruginosa	Thiamine-phosphate kinase
2	B, P (A)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
3	C, D, E, F, G... (A)	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
4	K (A)	THIAMIN PHOSPHATE	non-polymer		345.3	1	Chemie (TPS)
5	L (A)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
6	M, Q (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
7	N (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
8	O, R (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
9	S (A)	water	water		18.0	202	Chemie (HOH)

Sequence modifications

A: 1 - 322 (UniProt: A0A232BM78)

PDB	External Database	Details
Met -21	-	initiating methionine
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	35495.4
Non-Polymers*	Number of molecules	17
	Total formula weight	1909.0
All*	Total formula weight	37404.3

*Water molecules are not included.