4H98

Candida glabrata dihydrofolate reductase complexed with NADPH and 5-{3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (UCP1018)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Dihydrofolate Reductase	polymer	224	26079.9	2	UniProt (Q6FPH0) Pfam (PF00186) In PDB	Candida glabrata (yeast)	Strain CBS138 chromosome J complete sequence
2	A, B	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	A, B	5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine	non-polymer		402.4	2	Chemie (14Q)
4		water	water		18.0	26	Chemie (HOH)

Sequence modifications

A, B: 4 - 217 (UniProt: Q6FPH0)

PDB	External Database	Details
Leu 218	-	expression tag
Glu 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag
His 223	-	expression tag
His 224	-	expression tag
His 225	-	expression tag
His 226	-	expression tag
His 227	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	52159.8
Non-Polymers*	Number of molecules	4
	Total formula weight	2295.7
All*	Total formula weight	54455.5

*Water molecules are not included.