5UY8

Crystal structure of AICARFT bound to an antifolate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Bifunctional purine biosynthesis protein PURH	polymer	601	65793.9	4	UniProt (P31939) Pfam (PF02142) Pfam (PF01808)	Homo sapiens (Human)
2	E, I, L, P (A, B, C, D)	5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide	non-polymer		461.5	4	Chemie (8UM)
3	F, G, J, M, N... (A, B, C, D)	AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE	non-polymer		338.2	7	Chemie (AMZ)
4	H, K, O, S (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	T, U, V, W (A, B, C, D)	water	water		18.0	207	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 592 (UniProt: P31939)

PDB	External Database	Details
Met -8	-	expression tag
Ala -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
Ser 0	-	expression tag
Leu 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	263175.7
Non-Polymers*	Number of molecules	15
	Total formula weight	4310.8
All*	Total formula weight	267486.5

*Water molecules are not included.