2AF6

Crystal structure of Mycobacterium tuberculosis Flavin dependent thymidylate synthase (Mtb ThyX) in the presence of co-factor FAD and substrate analog 5-Bromo-2'-Deoxyuridine-5'-Monophosphate (BrdUMP)

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, E... (A, B, C, D, E...)	Thymidylate synthase thyX	polymer	258	28970.0	8	UniProt (P66930) Pfam (PF02511) UniProt (by SIFTS) (P9WG57)	Mycobacterium tuberculosis	TS, TSase
2	DA, EA, I, J, JA... (E, A, F, G, C...)	IODIDE ION	non-polymer		126.9	10	Chemie (IOD)
3	FA, K, LA, P, QA... (E, A, F, B, G...)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	8	Chemie (FAD)
4	AA, GA, L, MA, Q... (D, E, A, F, B...)	5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE	non-polymer		387.1	8	Chemie (BRU)
5	BA, CA, HA, IA, M... (D, E, A, F, B...)	GLYCEROL	non-polymer		92.1	14	Chemie (GOL)
6	AB, BB, CB, DB, WA... (E, F, G, H, A...)	water	water		18.0	989	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 250 (UniProt: P66930)

PDB	External Database	Details
Mse 1	Met 1	modified residue
Mse 65	Ile 65	engineered mutation
Mse 122	Met 122	modified residue
Mse 175	Leu 175	engineered mutation
Mse 198	Met 198	modified residue
Leu 251	-	cloning artifact
Glu 252	-	cloning artifact
His 253	-	expression tag
His 254	-	expression tag
His 255	-	expression tag
His 256	-	expression tag
His 257	-	expression tag
His 258	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	231759.8
Non-Polymers*	Number of molecules	40
	Total formula weight	11939.4
All*	Total formula weight	243699.2

*Water molecules are not included.