4POV

ThiT with LMG135 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 (A2RI47) Pfam (PF09515) In PDB	Lactococcus lactis subsp. cremoris	Thiamine ECF transporter S component ThiT
2	A, B	4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde	non-polymer		247.3	2	Chemie (2VY)
3	A, B	2-(2-METHOXYETHOXY)ETHANOL	non-polymer		120.1	2	Chemie (PG0)
4	B, A	TETRAETHYLENE GLYCOL	non-polymer		194.2	9	Chemie (PG4)
5	B, A	nonyl beta-D-glucopyranoside	non-polymer		306.4	6	Chemie (BNG)
6	B, A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	10	Chemie (PEG)
7	B, A	PENTAETHYLENE GLYCOL	non-polymer		238.3	3	Chemie (1PE)
8	A	TRIETHYLENE GLYCOL	non-polymer		150.2	3	Chemie (PGE)
9	A	HEXAETHYLENE GLYCOL	non-polymer		282.3	1	Chemie (P6G)
10	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
11		water	water		18.0	63	Chemie (HOH)

Sequence modifications

A, B: 1 - 182 (UniProt: A2RI47)

PDB	External Database	Details
Met -9	-	initiating methionine
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	42463.0
Non-Polymers*	Number of molecules	37
	Total formula weight	6865.7
All*	Total formula weight	49328.6

*Water molecules are not included.