3G4A

Crystal structure of flavine dependant thymidylate synthase S88A mutant from Thermotoga maritima at 1.95 angstrom resolution

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	27487.7	4	UniProt (Q9WYT0) Pfam (PF02511)	Thermotoga maritima MSB8	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	159	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 88	Ser 88	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	109950.7
Non-Polymers*	Number of molecules	8
	Total formula weight	4374.9
All*	Total formula weight	114325.6

*Water molecules are not included.