7KI8

Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001580

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	1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid	non-polymer		414.5	1	Chemie (WFA)
4		water	water		18.0	226	Chemie (HOH)

Sequence modifications

A: 1 - 165 (UniProt: A0PQG8)

PDB	External Database	Details
Met -7	-	expression tag
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ser 89	Cys 89	engineered mutation
Ala 96	Glu 96	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19035.6
Non-Polymers*	Number of molecules	2
	Total formula weight	1157.9
All*	Total formula weight	20193.5

*Water molecules are not included.