6JID

Human MTHFD2 in complex with Compound 1

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)	Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial	polymer	323	35215.5	2	UniProt (P13995) Pfam (PF00763) Pfam (PF02882)	Homo sapiens (Human)
2	C, G (A, B)	5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione	non-polymer		422.5	2	Chemie (BQC)
3	D, H (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	E, F, I (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	J, K (A, B)	water	water		18.0	38	Chemie (HOH)

Sequence modifications

A, B: 36 - 338 (UniProt: P13995)

PDB	External Database	Details
Met 16	-	expression tag
Gly 17	-	expression tag
Ser 18	-	expression tag
Ser 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
His 24	-	expression tag
His 25	-	expression tag
Ser 26	-	expression tag
Ser 27	-	expression tag
Gly 28	-	expression tag
Glu 29	-	expression tag
Asn 30	-	expression tag
Leu 31	-	expression tag
Tyr 32	-	expression tag
Phe 33	-	expression tag
Gln 34	-	expression tag
Gly 35	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70430.9
Non-Polymers*	Number of molecules	7
	Total formula weight	1311.1
All*	Total formula weight	71742.1

*Water molecules are not included.