BMRBj - BMREntryMaster

Found 1 Document (1.526 seconds)

BMRB: 4954

1HZE

1H, 13C and 15N chemical shifts assignments for the N-terminal domain of riboflavin synthase of E. Coli with riboflavin as a bound ligand

Authors

Truffault, V., Coles, M., Diercks, T., Abelmann, K., Eberhardt, S., Luettgen, H., Bacher, A., Kessler, H.

Assembly

Riboflavin Synthase N-domain

Entity

1. Riboflavin Synthase (polymer, Thiol state: all free), 97 monomers, 10562.85 × 2 Da Detail

MFTGIVQGTA KLVSIDEKPN FRTHVVELPD HMLDGLETGA SVAHNGCCLT VTEINGNHVS FDLMKETLRI TNLGDLKVGD WVNVERAAKF SDEIGGH

2. RIBOFLAVIN (non-polymer), 376.364 × 2 Da

Total weight

21878.428 Da

Max. entity weight

10562.85 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.6 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.6 % (1031 of 1079)	96.2 % (530 of 551)	93.9 % (399 of 425)	99.0 % (102 of 103)
Backbone	98.8 % (571 of 578)	98.5 % (199 of 202)	98.9 % (278 of 281)	98.9 % (94 of 95)
Sidechain	93.0 % (547 of 588)	94.8 % (331 of 349)	90.0 % (208 of 231)	100.0 % (8 of 8)
Aromatic	51.4 % (37 of 72)	66.7 % (24 of 36)	34.3 % (12 of 35)	100.0 % (1 of 1)
Methyl	100.0 % (122 of 122)	100.0 % (61 of 61)	100.0 % (61 of 61)

1. Riboflavin Synthase

MFTGIVQGTA KLVSIDEKPN FRTHVVELPD HMLDGLETGA SVAHNGCCLT VTEINGNHVS FDLMKETLRI TNLGDLKVGD WVNVERAAKF SDEIGGH

Show sample condition

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

LACS Plot; CA

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

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.12 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 1 models in PDB: 1HZE, Strand ID: A, B Detail

Release date

2002-01-31

Citation 1

The Solution Strucutre of the N-terminal Domain of Riboflavin Synthase
Truffault, V., Coles, M., Diercks, T., Abelmann, K., Eberhardt, S., Luettgen, H., Bacher, A., Kessler, H.
J. Mol. Biol. (2001), 309, 949-960

Show more 1 citaion

Citation 2

Automated backbone assignment of labeled proteins using the threshold accepting algorithm
Leutner, M., Gschwind, R.M., Liermann, J., Schwarz, C., Gemmecker, G., Kessler, H.
J. Biomol. NMR (1998), 11, 31-43, PubMed 9615996 , Abstract

Hide non-primary 1 citaion

Related entities 1. Riboflavin Synthase, : 1 : 5 : 62 entities Detail

Interaction partners 1. Riboflavin Synthase, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 17 experiments Detail

1 HNCACB

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

2 CBCA(CO)NH

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

3 HBHA(CO)NH

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

4 HNHA

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

5 HNHB

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

6 HCACO

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

7 HNCO

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

8 HCCH-TOCSY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

9 CCH-COSY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

10 1H-15N-NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

11 1H-13C-NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

12 CNH-NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

13 NNH-NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

14 NCH-NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

15 CCH-NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

16 2D-13C-filtered,12C-edited-NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

17 2D-12C-edited,13C-filtered-NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
1	Riboflavin Synthase	[U-13C; U-15N]		1.0 mM
2	RIBOFLAVINE			0.0 ~ 0.0 mM

Sample #2

Temperature 300 (±0.1) K, pH 7.3 (±0.2), Details Riboflavin is in large excess

#	Name	Isotope labeling	Type	Concentration
3	Riboflavin Synthase	[U-15N]		1.0 mM
4	RIBOFLAVINE	[U-13C; U-15N]		0.0 ~ 0.0 mM

null

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Found 1 Document (1.526 seconds)

BMRB: 4954

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Riboflavin Synthase, : 1 : 5 : 62 entities Detail

Interaction partners 1. Riboflavin Synthase, : 1 interactors Detail

Experiments performed 17 experiments Detail

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