8S5W

Cryo-EM structure of fedratinib-bound human SLC19A3 in inward-open state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Nb3.7	polymer	140	15313.9	1		Lama glama
2	B (A)	Thiamine transporter 2	polymer	535	59715.7	1	UniProt (Q9BZV2) Pfam (PF01770)	Homo sapiens (human)	ThTr-2,ThTr2,Solute carrier family 19 member 3
3	C (A)	N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide	non-polymer		524.7	1	Chemie (2TA)

Sequence modifications

A: 1 - 496 (UniProt: Q9BZV2)

PDB	External Database	Details
Gln 45	Asn 45	engineered mutation
Gln 166	Asn 166	engineered mutation
Leu 497	-	expression tag
Glu 498	-	expression tag
Val 499	-	expression tag
Leu 500	-	expression tag
Phe 501	-	expression tag
Gln 502	-	expression tag
Gly 503	-	expression tag
Pro 504	-	expression tag
Ser 505	-	expression tag
Ser 506	-	expression tag
Gly 507	-	expression tag
Trp 508	-	expression tag
Ser 509	-	expression tag
His 510	-	expression tag
Pro 511	-	expression tag
Gln 512	-	expression tag
Phe 513	-	expression tag
Glu 514	-	expression tag
Lys 515	-	expression tag
Gly 516	-	expression tag
Gly 517	-	expression tag
Gly 518	-	expression tag
Ser 519	-	expression tag
Gly 520	-	expression tag
Gly 521	-	expression tag
Gly 522	-	expression tag
Ser 523	-	expression tag
Gly 524	-	expression tag
Gly 525	-	expression tag
Ser 526	-	expression tag
Ala 527	-	expression tag
Trp 528	-	expression tag
Ser 529	-	expression tag
His 530	-	expression tag
Pro 531	-	expression tag
Gln 532	-	expression tag
Phe 533	-	expression tag
Glu 534	-	expression tag
Lys 535	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75029.5
Non-Polymers*	Number of molecules	1
	Total formula weight	524.7
All*	Total formula weight	75554.2

*Water molecules are not included.