6KG2

Human MTHFD2 in complex with Compound 18

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial	polymer	323	35215.5	2	UniProt (P13995) Pfam (PF00763) Pfam (PF02882) In PDB	Homo sapiens (Human)
2	A, B	N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide	non-polymer		545.0	2	Chemie (D8C)
3	A, B	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
4	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5		water	water		18.0	103	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	6
	Total formula weight	2606.9
All*	Total formula weight	73037.8

*Water molecules are not included.