8GKZ

Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF362 inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Serine hydroxymethyltransferase, mitochondrial	polymer	493	54589.9	2	UniProt (P34897) Pfam (PF00464)	Homo sapiens (human)	SHMT,Glycine hydroxymethyltransferase,Serine methylase
2	C, F (A, B)	GLYCINE	non-polymer		75.1	2	Chemie (GLY)
3	D, G (A, B)	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	2	Chemie (PLP)
4	E (B)	N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid	non-polymer		479.5	1	Chemie (Y72)
5	H, I (A, B)	water	water		18.0	20	Chemie (HOH)

Sequence modifications

A, B: 29 - 504 (UniProt: P34897)

PDB	External Database	Details
Met 12	-	initiating methionine
Gly 13	-	expression tag
Ser 14	-	expression tag
Ser 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
Ser 22	-	expression tag
Ser 23	-	expression tag
Gly 24	-	expression tag
Leu 25	-	expression tag
Val 26	-	expression tag
Pro 27	-	expression tag
Arg 28	-	expression tag
Phe 105	Tyr 105	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	109179.9
Non-Polymers*	Number of molecules	5
	Total formula weight	1123.9
All*	Total formula weight	110303.8

*Water molecules are not included.