2GQ2

Mycobacterium tuberculosis ThyX-NADP complex

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	258	28970.0	4	UniProt (P66930) Pfam (PF02511) UniProt (by SIFTS) (P9WG57)	Mycobacterium tuberculosis H37Rv	TS, TSase
2	AA, BA, CA, DA, E... (D, A, B, C)	IODIDE ION	non-polymer		126.9	15	Chemie (IOD)
3	EA, I, O, V (D, A, B, C)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
4	FA, J, P, W (D, A, B, C)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
5	K (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
6	GA, HA, IA, L, Q... (D, A, B, C)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
7	JA, KA, LA, MA (A, B, C, D)	water	water		18.0	383	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	115879.9
Non-Polymers*	Number of molecules	31
	Total formula weight	5828.4
All*	Total formula weight	121708.3

*Water molecules are not included.