3IX9

Crystal structure of Streptococcus pneumoniae dihydrofolate reductase - Sp9 mutant

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)	Dihydrofolate reductase	polymer	190	22230.3	2	UniProt (O85261) Pfam (PF00186) UniProt (by SIFTS) (Q54801)	Streptococcus pneumoniae
2	C, E (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	D, F (A, B)	METHOTREXATE	non-polymer		454.4	2	Chemie (MTX)
4	G, H (A, B)	water	water		18.0	306	Chemie (HOH)

Sequence modifications

A, B: 1 - 168 (UniProt: O85261)

PDB	External Database	Details
Met -19	-	expression tag
Lys -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Gly -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Tyr 26	His 26	engineered mutation
Lys 60	Gln 60	engineered mutation
Val 77	Ala 77	engineered mutation
Ala 78	Val 78	engineered mutation
His 81	Gln 81	engineered mutation
Ser 91	Gln 91	engineered mutation
Val 100	Leu 100	engineered mutation
Ala 133	Glu 133	engineered mutation
Thr 149	Ala 149	engineered mutation
Leu 169	-	expression tag
Glu 170	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	44460.5
Non-Polymers*	Number of molecules	4
	Total formula weight	2399.7
All*	Total formula weight	46860.2

*Water molecules are not included.