4DFR: Dihydrofolate reductase

Crystal structures of escherichia coli and lactobacillus casei dihydrofolate reductase refined at 1.7 Å resolution. I. General features and binding of methotrexate. Determined by X-ray diffraction at 1.7 Å resolution. Released 21 Oct 1982.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Escherichia coli
Chains: 2
Atoms: 3,035
Mol. weight: 37.06 kDa
Ligands: CA, MTX
Released: 21 Oct 1982

Explore 4DFR in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4DFR contains 19 α-helices and 20 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 9 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	2-8	7	1
α-helix	10-12	3
β-strand	13	1	2
α-helix	19-20	2
α-helix	25-35	11
β-strand	39-43	5	1
α-helix	44-50	7
α-helix	53-54	2
β-strand	58-62	5	1
β-strand	73-75	3	1
α-helix	78-85	8
β-strand	91-95	5	1
α-helix	97-103	7
α-helix	104-106	3
β-strand	109-115	7	1
β-strand	124	1	2
α-helix	130-132	3
β-strand	133-141	9	1
β-strand	151-158	8	1

Chain B: 10 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	2-8	7	3
α-helix	10-12	3
β-strand	13-15	3	4
α-helix	25-33	9
β-strand	39-43	5	3
α-helix	44-50	7
α-helix	53-54	2
β-strand	58-62	5	3
α-helix	66-67	2
β-strand	73-75	3	3
α-helix	78-83	6
β-strand	91-95	5	3
α-helix	97-103	7
α-helix	104-106	3
β-strand	107-115	9	3
β-strand	123-124	2	4
α-helix	125-127	3
α-helix	130-132	3
β-strand	133-141	9	3
β-strand	151-158	8	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Dihydrofolate reductase	A, B	protein	159	Escherichia coli	P0ABQ4 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4DFR_1 DIHYDROFOLATE REDUCTASE (chains A, B)
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNI
ILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFKILERR

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	1
MTX	Methotrexate	C20 H22 N8 O5	2

Water and common crystallization additives (CL) are not listed.

Primary citation

Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate. Bolin, J.T., Filman, D.J., Matthews, D.A. et al. J Biol Chem (1982) 257:13650-13662. PubMed

Other PDB entries of the same protein (UniProt P0ABQ4 (AlphaFold model), which also has an AlphaFold model), best resolution first:

45PC 0.85 Å, 6-conformation model of Escherichia coli dihydrofolate reductase at 100K
9PWM 0.89 Å, Dihydrofolate Reductase Complexed with Folate and Nicotinamide Adenine Dinucleotide…
8UW0 0.93 Å, Escherichia coli DHFR bound to NADP+ and folate, 17.2 MGy dose
6CW7 1.03 Å, E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
7FPP 1.03 Å, DHFR:NADP+:FOL complex at 280 K (crystal 5)
7FPQ 1.03 Å, DHFR:NADP+:FOL complex at 280 K (multi-crystal)
7FPM 1.04 Å, DHFR:NADP+:FOL complex at 280 K (crystal 2)
7FPN 1.04 Å, DHFR:NADP+:FOL complex at 280 K (crystal 3)
7FPV 1.04 Å, DHFR:NADP+:FOL complex at 290 K (crystal 5)
7FPW 1.04 Å, DHFR:NADP+:FOL complex at 290 K (multi-crystal)
7FPU 1.05 Å, DHFR:NADP+:FOL complex at 290 K (crystal 4)
5SSW 1.06 Å, DHFR:NADP+:FOL complex at 270 K (multi-crystal)

Browse more

4DFR is part of these collections:

Drugs bound to their targets

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