3ROA

Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1004)

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)	Strain CBS138 chromosome J complete sequence	polymer	225	26209.1	2	UniProt (Q6FPH0) Pfam (PF00186)	Candida glabrata (yeast)
2	C, F (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	D, G (A, B)	6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine	non-polymer		381.5	2	Chemie (06V)
4	E, H (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	I, J (A, B)	water	water		18.0	73	Chemie (HOH)

Sequence modifications

A, B: 3 - 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	52418.1
Non-Polymers*	Number of molecules	6
	Total formula weight	2324.7
All*	Total formula weight	54742.8

*Water molecules are not included.