6UWQ

Crystal structure of dihydrofolate reductase from Mycobacterium ulcerans with SDDC-0001565 inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Dihydrofolate reductase	polymer	173	19035.6	1	UniProt (A0PQG8) Pfam (PF00186) In PDB	Mycobacterium ulcerans (strain Agy99)
2	A	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	A	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid	non-polymer		360.4	1	Chemie (QKJ)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5		water	water		18.0	203	Chemie (HOH)

Sequence modifications

A: 9 - 173 (UniProt: A0PQG8)

PDB	External Database	Details
Met 1	-	expression tag
Ala 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
Ser 97	Cys 89	conflict
Ala 104	Glu 96	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19035.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1227.9
All*	Total formula weight	20263.6

*Water molecules are not included.