4CJX

The crystal structure of Trypanosoma brucei N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and 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)	C-1-TETRAHYDROFOLATE SYNTHASE, CYTOPLASMIC, PUTATIVE	polymer	319	34358.0	2	UniProt (Q57WP0) Pfam (PF00763) Pfam (PF02882)	TRYPANOSOMA BRUCEI BRUCEI STRAIN 927/4 GUTAT10.1
2	C (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	D (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
4	E, G (A, B)	(2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid	non-polymer		433.4	2	Chemie (9L9)
5	F (A)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
6	H, I (A, B)	water	water		18.0	322	Chemie (HOH)

Sequence modifications

A, B: 1 - 298 (UniProt: Q57WP0)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Ala 80	Thr 80	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68715.9
Non-Polymers*	Number of molecules	5
	Total formula weight	1808.4
All*	Total formula weight	70524.3

*Water molecules are not included.