5SSV: DHFR:NADP+:FOL complex at 270 K

DHFR:NADP+:FOL complex at 270 K (crystal 4). Determined by X-ray diffraction at 1.08 Å resolution. Released 23 Aug 2023.

Method: X-ray diffraction
Resolution: 1.08 Å
Organism: Escherichia coli K-12
Chains: 1
Atoms: 1,814
Mol. weight: 19.46 kDa
Ligands: FOL, NAP, MN
Released: 23 Aug 2023

Explore 5SSV in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5SSV contains 9 α-helices and 12 β-strands across 1 chain. 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, 12 β-strands

Element	Residues	Length	Sheet
β-strand	2-8	7	1
α-helix	10-12	3
β-strand	13-15	3	2
β-strand	16	1	3
β-strand	19	1	3
α-helix	25-35	11
β-strand	40-43	4	1
α-helix	44-50	7
α-helix	53-54	2
β-strand	59-62	4	1
β-strand	73-75	3	1
α-helix	78-84	7
β-strand	91-93	3	1
α-helix	97-103	7
α-helix	104-106	3
β-strand	107-115	9	1
β-strand	123-124	2	2
α-helix	125-127	3
α-helix	130-132	3
β-strand	133-141	9	1
β-strand	151-158	8	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Dihydrofolate reductase	A	protein	159	Escherichia coli K-12	P0ABQ4 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5SSV_1 Dihydrofolate reductase (chains A)
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNI
ILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR

Ligands and cofactors

ID	Name	Formula	Copies
FOL	Folic acid	C19 H19 N7 O6	1
NAP	NADP nicotinamide-adenine-dinucleotide phosphate	C21 H28 N7 O17 P3	1
MN	Manganese (II) ion	Mn	4

Primary citation

Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Greisman, J.B., Dalton, K.M., Brookner, D.E. et al. Proc Natl Acad Sci U S A (2024) 121:e2313192121-e2313192121. DOI 10.1073/pnas.2313192121 · 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)

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