7F3B

cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline 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	165	18848.2	1	UniProt (P0ABQ4) Pfam (PF00186) In PDB	Escherichia coli (strain K12)
2	A	7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine	non-polymer		307.3	1	Chemie (D4C)
3	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)

Sequence modifications

A: 1 - 159 (UniProt: P0ABQ4)

PDB	External Database	Details
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	18848.2
Non-Polymers*	Number of molecules	3
	Total formula weight	491.5
All*	Total formula weight	19339.7

*Water molecules are not included.