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BMRB: 5981

1YHO

1H, 15N and 13C resonance assignments of human dihydrofolate reductase in its complex with trimethoprim and NADPH

Authors

Kovalevskaya, N.V., Polshakov, V.I., Birdsall, B., Bradbury, A.F., Frenkiel, T.A., Feeney, J.

Assembly

ternary complex of human DHFR with trimethoprim and NADPH

Entity

1. Dihydrofolate reductase (polymer, Thiol state: all free), 186 monomers, 21321.27 Da Detail

VGSLNCIVAV SQNMGIGKNG DLPWPPLRNE FRYFQRMTTT SSVEGKQNLV IMGKKTWFSI PEKNRPLKGR INLVLSRELK EPPQGAHFLS RSLDDALKLT EQPELANKVD MVWIVGGSSV YKEAMNHPGH LKLFVTRIMQ DFESDTFFPE IDLEKYKLLP EYPGVLSDVQ EEKGIKYKFE VYEKND

2. NAP (non-polymer), 743.405 Da
3. TOP (non-polymer), 290.318 Da

Total weight

22354.992 Da

Max. entity weight

21321.27 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 81.6 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.6 % (1849 of 2267)	79.8 % (952 of 1193)	80.1 % (705 of 880)	99.0 % (192 of 194)
Backbone	96.1 % (1049 of 1092)	96.8 % (361 of 373)	94.5 % (515 of 545)	99.4 % (173 of 174)
Sidechain	71.7 % (966 of 1348)	72.1 % (591 of 820)	70.1 % (356 of 508)	95.0 % (19 of 20)
Aromatic	64.0 % (119 of 186)	72.0 % (67 of 93)	54.4 % (49 of 90)	100.0 % (3 of 3)
Methyl	93.2 % (179 of 192)	100.0 % (96 of 96)	86.5 % (83 of 96)

1. Dihydrofolate reductase

Show sample condition

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

Chem. Shift Complete2

Sequence coverage: 29.0 %, Completeness: 51.0 %, Completeness (bb): 60.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	51.0 % (2312 of 4534)	49.6 % (1184 of 2386)	50.4 % (887 of 1760)	62.1 % (241 of 388)
Backbone	60.1 % (1312 of 2184)	60.3 % (450 of 746)	58.7 % (640 of 1090)	63.8 % (222 of 348)
Sidechain	44.8 % (1207 of 2696)	44.8 % (734 of 1640)	44.7 % (454 of 1016)	47.5 % (19 of 40)
Aromatic	33.1 % (123 of 372)	37.1 % (69 of 186)	28.3 % (51 of 180)	50.0 % (3 of 6)
Methyl	57.6 % (221 of 384)	60.9 % (117 of 192)	54.2 % (104 of 192)

1. Dihydrofolate reductase

Show sample condition

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

Chem. Shift Complete3

Sequence coverage: 28.5 %, Completeness: 39.9 %, Completeness (bb): 47.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	39.9 % (2714 of 6801)	38.6 % (1380 of 3579)	39.5 % (1044 of 2640)	49.8 % (290 of 582)
Backbone	47.7 % (1563 of 3276)	47.7 % (534 of 1119)	46.5 % (760 of 1635)	51.5 % (269 of 522)
Sidechain	34.6 % (1398 of 4044)	34.4 % (847 of 2460)	34.8 % (530 of 1524)	35.0 % (21 of 60)
Aromatic	23.5 % (131 of 558)	26.2 % (73 of 279)	20.4 % (55 of 270)	33.3 % (3 of 9)
Methyl	43.4 % (250 of 576)	46.2 % (133 of 288)	40.6 % (117 of 288)

1. Dihydrofolate reductase

Show sample condition

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.09 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.09 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.23 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 25 models in PDB: 1YHO, Strand ID: A Detail

Release date

2006-01-18

Citation

Solution structure of human dihydrofolate reductase in its complex with trimethoprim and NADPH
Kovalevskaya, N.V., Smurnyy, Y.D., Polshakov, V.I., Birdsall, B., Bradbury, A.F., Frenkiel, T.A., Feeney, J.
J. Biomol. NMR (2005), 33, 69-72, PubMed 16222560 , DOI 10.1007/s10858-005-1475-z , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P00374 released on 1986-07-21
Title DYR_HUMAN Entity Dihydrofolate reductase

Related entities 1. Dihydrofolate reductase, : 1 : 71 : 4 : 9 : 110 entities Detail

Interaction partners 1. Dihydrofolate reductase, : 4 interactors Detail

More details for 4 interactors identified by 3 citations

Experiments performed 18 experiments Detail

1 2D DQF-COSY

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

2 2D NOESY

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

3 2D 1H-15N HSQC

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

4 2D 1H-13C HSQC

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

5 3D HNCA

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

6 3D HN(CO)CA

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

7 3D HNHA

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

8 3D HNHB

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

9 3D HNCO

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

10 3D HNCACB

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

11 3D CBCA(CO)NH

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

12 3D HBHA(CO)NH

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

13 3D 1H-15N HSQC-NOESY

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

14 3D 1H-13C HSQC-NOESY

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

15 3D 1H-13C NOESY-HMQC

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

16 3D HCCH-TOCSY

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

17 2D 1H-1H 13C-FILTERED NOESY

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

18 2D 1H-1H 15N-FILTERED NOESY

Instrument

#1 Model Varian UNITY (600 MHz)

#2 Model Varian INOVA (600 MHz)

#3 Model Varian INOVA (800 MHz)

Sample #1

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Dihydrofolate reductase	0.5 ~ 1.2 mM
2	TRIMETHOPRIM	0.5 ~ 1.2 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	0.5 ~ 1.2 mM
4	potassium phosphate	50 mM
5	potassium chloride	100 mM

Sample #2

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Dihydrofolate reductase	[U-98% 13C; U-98% 15N]	0.5 ~ 1.0 mM
7	TRIMETHOPRIM		0.5 ~ 1.0 mM
8	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.5 ~ 1.0 mM
9	potassium phosphate		50 mM
10	potassium chloride		100 mM

Sample #3

Temperature 288 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
11	Dihydrofolate reductase	[U-98% 15N]	0.75 ~ 1.2 mM
12	TRIMETHOPRIM		0.75 ~ 1.2 mM
13	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		0.75 ~ 1.2 mM
14	potassium phosphate		50 mM
15	potassium chloride		100 mM

nullKeywords Dihydrofolate reductase, Trimethoprim, Protein-ligand interactions, Co-operative binding, NMR resonance assignments

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BMRB: 5981

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Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. Dihydrofolate reductase, : 1 : 71 : 4 : 9 : 110 entities Detail

Interaction partners 1. Dihydrofolate reductase, : 4 interactors Detail

Experiments performed 18 experiments Detail

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