8T4P

Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 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	54635.9	2	UniProt (P34897) Pfam (PF00464)	Homo sapiens (human)	SHMT,Glycine hydroxymethyltransferase,Serine methylase
2	C, E (A, B)	N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]	non-polymer		306.2	2	Chemie (PLG)
3	D (A)	N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid	non-polymer		602.6	1	Chemie (Y5Z)
4	F, G (A, B)	water	water		18.0	25	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
Thr 418	Ala 418	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	109271.9
Non-Polymers*	Number of molecules	3
	Total formula weight	1215.0
All*	Total formula weight	110486.9

*Water molecules are not included.