9ITD

Human MTHFD1 in complex with compound 16a

This is a non-PDB format compatible entry.

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 (A, B, C, D)	C-1-tetrahydrofolate synthase, cytoplasmic, N-terminally processed	polymer	308	33590.5	4	UniProt (P11586) Pfam (PF00763) Pfam (PF02882)	Homo sapiens (human)
2	E, G, I, K (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	F, H, J, L (A, B, C, D)	(2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid	non-polymer		457.4	4	Chemie (A1L22)
4	M, N, O, P (A, B, C, D)	water	water		18.0	180	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 301 (UniProt: P11586)

PDB	External Database	Details
Arg 134	Lys 134	variant
Leu 302	-	expression tag
Glu 303	-	expression tag
His 304	-	expression tag
His 305	-	expression tag
His 306	-	expression tag
His 307	-	expression tag
His 308	-	expression tag
His 309	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	134362.0
Non-Polymers*	Number of molecules	8
	Total formula weight	4803.2
All*	Total formula weight	139165.2

*Water molecules are not included.