BMRBj - BMREntryMaster

Found 1 Document (1.242 seconds)

BMRB: 17311

2LF1

L.casei DHFR-NADPH complex

Authors

Polshakov, V.I., Birdsall, B., Feeney, J., Kovalevskaya, N.V.

Assembly

DHFR.NADPH

Entity

1. DHFR (polymer, Thiol state: not present), 162 monomers, 18307.38 Da Detail

TAFLWAQDRD GLIGKDGHLP WHLPDDLHYF RAQTVGKIMV VGRRTYESFP KRPLPERTNV VLTHQEDYQA QGAVVVHDVA AVFAYAKQHP DQELVIAGGA QIFTAFKDDV DTLLVTRLAG SFEGDTKMIP LNWDDFTKVS SRTVEDTNPA LTHTYEVWQK KA

2. NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (non-polymer), 745.421 Da

Total weight

19052.803 Da

Max. entity weight

18307.38 Da

Source organism

Lacticaseibacillus casei

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.5 %, Completeness (bb): 97.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.5 % (1654 of 1890)	92.0 % (893 of 971)	79.6 % (596 of 749)	97.1 % (165 of 170)
Backbone	97.0 % (927 of 956)	98.2 % (320 of 326)	95.4 % (454 of 476)	99.4 % (153 of 154)
Sidechain	80.2 % (871 of 1086)	88.8 % (573 of 645)	67.3 % (286 of 425)	75.0 % (12 of 16)
Aromatic	62.8 % (123 of 196)	91.8 % (90 of 98)	35.1 % (33 of 94)	0.0 % (0 of 4)
Methyl	97.4 % (189 of 194)	97.9 % (95 of 97)	96.9 % (94 of 97)

1. DHFR

TAFLWAQDRD GLIGKDGHLP WHLPDDLHYF RAQTVGKIMV VGRRTYESFP KRPLPERTNV VLTHQEDYQA QGAVVVHDVA AVFAYAKQHP DQELVIAGGA QIFTAFKDDV DTLLVTRLAG SFEGDTKMIP LNWDDFTKVS SRTVEDTNPA LTHTYEVWQK KA

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DHFR	[U-98% 15N]	1.0 ~ 3.0 mM
2	NADPH	natural abundance	1.0 ~ 3.0 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	DHFR	natural abundance	2 mM
6	NADPH	natural abundance	2 mM
7	D2O	natural abundance	100 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	DHFR	[U-98% 13C; U-98% 15N]	1 mM
9	NADPH	natural abundance	1 mM
10	H2O	natural abundance	95 %
11	D2O	natural abundance	5 %

Protein Blocks Logo

Calculated from 30 models in PDB: 2LF1, Strand ID: A Detail

Release date

2011-03-29

Citation

NMR structures of apo L. casei dihydrofolate reductase and its complexes with trimethoprim and NADPH: contributions to positive cooperative binding from ligand-induced refolding, conformational changes, and interligand hydrophobic interactions
Feeney, J., Birdsall, B., Kovalevskaya, N.V., Smurnyy, Y.D., Navarro Peran, E.M., Polshakov, V.I.
Biochemistry (2011), 50, 3609-3620, PubMed 21410224 , DOI 10.1021/bi200067t , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 17310 released on 2012-01-03
    Title L.casei DHFR-TRIMETHOPRIM complex
  BMRB: 17125 released on 2011-05-17
    Title SOLUTION STRUCTURE OF LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE APO-FORM, 25 CONFORMERS

Related entities 1. DHFR, : 1 : 9 : 137 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DHFR	[U-98% 15N]	1.0 ~ 3.0 mM
2	NADPH	natural abundance	1.0 ~ 3.0 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

2 3D HNHA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DHFR	[U-98% 15N]	1.0 ~ 3.0 mM
2	NADPH	natural abundance	1.0 ~ 3.0 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

3 3D HNHB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DHFR	[U-98% 15N]	1.0 ~ 3.0 mM
2	NADPH	natural abundance	1.0 ~ 3.0 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

4 3D 1H-15N TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DHFR	[U-98% 15N]	1.0 ~ 3.0 mM
2	NADPH	natural abundance	1.0 ~ 3.0 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

5 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DHFR	[U-98% 15N]	1.0 ~ 3.0 mM
2	NADPH	natural abundance	1.0 ~ 3.0 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

6 2D DQF-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	DHFR	natural abundance	2 mM
6	NADPH	natural abundance	2 mM
7	D2O	natural abundance	100 %

7 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	DHFR	natural abundance	2 mM
6	NADPH	natural abundance	2 mM
7	D2O	natural abundance	100 %

8 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	DHFR	[U-98% 13C; U-98% 15N]	1 mM
9	NADPH	natural abundance	1 mM
10	H2O	natural abundance	95 %
11	D2O	natural abundance	5 %

9 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	DHFR	[U-98% 13C; U-98% 15N]	1 mM
9	NADPH	natural abundance	1 mM
10	H2O	natural abundance	95 %
11	D2O	natural abundance	5 %

10 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	DHFR	[U-98% 13C; U-98% 15N]	1 mM
9	NADPH	natural abundance	1 mM
10	H2O	natural abundance	95 %
11	D2O	natural abundance	5 %

11 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	DHFR	[U-98% 13C; U-98% 15N]	1 mM
9	NADPH	natural abundance	1 mM
10	H2O	natural abundance	95 %
11	D2O	natural abundance	5 %

12 3D HCCH-COSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	DHFR	[U-98% 13C; U-98% 15N]	1 mM
9	NADPH	natural abundance	1 mM
10	H2O	natural abundance	95 %
11	D2O	natural abundance	5 %

13 3D 1H-13C NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	DHFR	[U-98% 13C; U-98% 15N]	1 mM
9	NADPH	natural abundance	1 mM
10	H2O	natural abundance	95 %
11	D2O	natural abundance	5 %

14 2D 1H-15N IPAP

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DHFR	[U-98% 15N]	1.0 ~ 3.0 mM
2	NADPH	natural abundance	1.0 ~ 3.0 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

15 2D 1H-15N IPAP

Instrument

Varian INOVA - 600 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DHFR	[U-98% 15N]	1.0 ~ 3.0 mM
2	NADPH	natural abundance	1.0 ~ 3.0 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

16 2D 15N-rejected NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DHFR	[U-98% 15N]	1.0 ~ 3.0 mM
2	NADPH	natural abundance	1.0 ~ 3.0 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

nullKeywords cooperative binding, DHFR, protein-ligand interactions, protein structure, trimethoprim

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (1.242 seconds)

BMRB: 17311

Sample #1

Sample #2

Sample #3

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. DHFR, : 1 : 9 : 137 entities Detail

Experiments performed 16 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample