6R2E

Crystal structure of the human thymidylate synthase (hTS) interface variant Q62R

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, C, D, B, F...)	Thymidylate synthase	polymer	325	37349.8	6	UniProt (P04818) Pfam (PF00303)	Homo sapiens (Human)	TSase
2	G, H (E, G)	Thymidylate synthase	polymer	325	37319.7	2	UniProt (P04818) Pfam (PF00303)	Homo sapiens (Human)	TSase
3	CA, DA, FA, GA, I... (F, H, A, E, C...)	SULFATE ION	non-polymer		96.1	17	Chemie (SO4)
4	AA, EA, HA, K, LA... (B, F, H, A, E...)	N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid	non-polymer		473.4	8	Chemie (FFO)
5	BA, L, M, MA, QA... (B, A, E, G, C...)	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
6	IA, V (H, D)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7	RA, SA, TA, UA, VA... (A, C, D, B, F...)	water	water		18.0	2430	Chemie (HOH)

Sequence modifications

A, C, D, B, F, H: 1 - 313 (UniProt: P04818)

PDB	External Database	Details
Met -11	-	initiating methionine
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Arg 62	Gln 62	engineered mutation

E, G: 1 - 313 (UniProt: P04818)

PDB	External Database	Details
Met -11	-	initiating methionine
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Arg 62	Gln 62	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	298738.0
Non-Polymers*	Number of molecules	35
	Total formula weight	5888.4
All*	Total formula weight	304626.4

*Water molecules are not included.