4MUU

Structure of ThiT with pyrithiamine bound

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 transporter ThiT	polymer	192	21231.5	2	UniProt (D8KFM5) In PDB	Lactococcus lactis	Thiamine ECF transporter S component ThiT
2	A, B	1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM	non-polymer		259.3	2	Chemie (218)
3	B, A	nonyl beta-D-glucopyranoside	non-polymer		306.4	3	Chemie (BNG)
4	B, A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	10	Chemie (PEG)
5	B, A	2-(2-METHOXYETHOXY)ETHANOL	non-polymer		120.1	8	Chemie (PG0)
6	B, A	TETRAETHYLENE GLYCOL	non-polymer		194.2	9	Chemie (PG4)
7	A	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
8	B, A	TRIETHYLENE GLYCOL	non-polymer		150.2	3	Chemie (PGE)
9	B	HEXAETHYLENE GLYCOL	non-polymer		282.3	4	Chemie (P6G)
10	B	3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL	non-polymer		398.5	1	Chemie (PE5)
11		water	water		18.0	110	Chemie (HOH)

Sequence modifications

A, B: 11 - 192 (UniProt: D8KFM5)

PDB	External Database	Details
Met 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
Ala 10	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	42463.0
Non-Polymers*	Number of molecules	41
	Total formula weight	7424.9
All*	Total formula weight	49887.8

*Water molecules are not included.