7K69

Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001574

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	19051.7	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-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid	non-polymer		412.4	1	Chemie (VY7)
4	A	SERINE	non-polymer		105.1	1	Chemie (SER)
5		water	water		18.0	218	Chemie (HOH)

Sequence modifications

A: 1 - 165 (UniProt: A0PQG8)

PDB	External Database	Details
Met -7	-	initiating methionine
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
Ala 96	Glu 96	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19051.7
Non-Polymers*	Number of molecules	3
	Total formula weight	1260.9
All*	Total formula weight	20312.6

*Water molecules are not included.