3N0B

TM0449 mutant crystals grown in loops/micromounts

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)	Thymidylate synthase thyX	polymer	232	27312.5	4	UniProt (Q9WYT0) Pfam (PF02511)	Thermotoga maritima	TS, TSase
2	E, G, J, L (A, B, C, D)	2'-DEOXYURIDINE 5'-MONOPHOSPHATE	non-polymer		308.2	4	Chemie (UMP)
3	F, H, I, K (A, B, C, D)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	4	Chemie (FAD)
4	M, N, O, P (A, B, C, D)	water	water		18.0	39	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 220 (UniProt: Q9WYT0)

PDB	External Database	Details
Met -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
Asp -8	-	expression tag
Lys -7	-	expression tag
Ile -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ala 158	Phe 158	engineered mutation
Ala 160	Trp 160	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	109249.8
Non-Polymers*	Number of molecules	8
	Total formula weight	4374.9
All*	Total formula weight	113624.7

*Water molecules are not included.