BMRBj - BMREntryMaster

Found 1 Document (1.842 seconds)

BMRB: 4448

1F3Y

1H, 13C and 15N backbone assignment and secondary structure of the 19 kDa diadenosine 5',5'''-P1,P4 tetraphosphate hydrolase from Lupinus angustifolius L.

Authors

Swarbrick, J., Bashtannyk, T., Maksel, D., Gayler, K.R., Pau, R., Gooley, P.R.

Assembly

Diadenosine 5',5'''-P1,P4 tetraphosphate hydrolase

Entity

1. Diadenosine 5',5'''-P1,P4 tetraphosphate hydrolase (polymer, Thiol state: all free), 165 monomers, 18814.99 Da Detail

GPLGSMDSPP EGYRRNVGIC LMNNDKKIFA ASRLDIPDAW QMPQGGIDEG EDPRNAAIRE LREETGVTSA EVIAEVPYWL TYDFPPKVRE KLNIQWGSDW KGQAQKWFLF KFTGQDQEIN LLGDGSEKPE FGEWSWVTPE QLIDLTVEFK KPVYKEVLSV FAPHL

Formula weight

18814.99 Da

Source organism

Lupinus angustifolius

Exptl. method

NMR

Refine. method

torsion angle dynamics,simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.0 %, Completeness: 84.6 %, Completeness (bb): 96.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.6 % (1676 of 1980)	84.8 % (880 of 1038)	82.2 % (632 of 769)	94.8 % (164 of 173)
Backbone	96.2 % (927 of 964)	96.1 % (318 of 331)	95.8 % (461 of 481)	97.4 % (148 of 152)
Sidechain	76.5 % (893 of 1167)	79.5 % (562 of 707)	71.8 % (315 of 439)	76.2 % (16 of 21)
Aromatic	34.0 % (68 of 200)	51.0 % (51 of 100)	10.8 % (10 of 93)	100.0 % (7 of 7)
Methyl	97.5 % (154 of 158)	97.5 % (77 of 79)	97.5 % (77 of 79)

1. Ap4a hydrolase

GPLGSMDSPP EGYRRNVGIC LMNNDKKIFA ASRLDIPDAW QMPQGGIDEG EDPRNAAIRE LREETGVTSA EVIAEVPYWL TYDFPPKVRE KLNIQWGSDW KGQAQKWFLF KFTGQDQEIN LLGDGSEKPE FGEWSWVTPE QLIDLTVEFK KPVYKEVLSV FAPHL

Show sample condition

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 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: 0.06 ppm, Outliers: 3 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: 0.06 ppm, Outliers: 3 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: -0.04 ppm, Outliers: 2 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: 0.06 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 25 models in PDB: 1F3Y, Strand ID: A Detail

Release date

2000-05-08

Citation

Letter to the Editor: 1H, 13C and 15N backbone assignment and secondary structure of the 19 kDa diadenosine 5', 5'''-P1, P4-tetraphosphate hydrolase from Lupinus angustifolius L
Swarbrick, J., Bashtannyk, T., Maksel, D., Gayler, K.R., Pau, R., Gooley, P.R.
J. Biomol. NMR (2000), 16, 269-270, PubMed , DOI:

Related entities 1. Diadenosine 5',5'''-P1,P4 tetraphosphate hydrolase, : 1 : 1 : 135 entities Detail

Experiments performed 15 experiments Detail

1 1H-15N NOESY

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

2 1H-15N TOCSY

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

3 HNHa

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

4 HNHb

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

5 CbCaNH

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

6 CbCa(CO)NH

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

7 HNCO

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

8 (HCa)CO(Ca)HN

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

9 HCACO

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

10 C(CO)TOCSY

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

11 HCCH TOCSY

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

12 H(CCP)TOCSY

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

13 (Hb)Cb(CgCd)Hd

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

14 (Hb)Cb(CgCdCe)He

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

15 13C-1H NOESY

Instrument

Model Varian Inova (600 MHz)

Sample #1

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
1	Ap4a hydrolase	[U-95% 13C; U-95% 15N]	0.8 mM
2	Sodium phosphate		45 mM
3	EDTA		2 mM
4	DTT		1.5 mM

Sample #2

Temperature 298 (±0.1) K

#	Name	Isotope labeling	Concentration
5	Ap4a hydrolase	[U-95% 15N]	0.8 ~ 1.2 mM
6	Sodium phosphate		45 mM
7	EDTA		2 mM
8	DTT		1.5 mM

nullKeywords hydrolase, nudix

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Found 1 Document (1.842 seconds)

BMRB: 4448

Sample #1

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Diadenosine 5',5'''-P1,P4 tetraphosphate hydrolase, : 1 : 1 : 135 entities Detail

Experiments performed 15 experiments Detail

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