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BMRB: 6395

1YR1

1H, 13C, and 15N Chemical Shift Assignments for the Cis and Trans Isomer of the Beta Domain of Bacillus stearothermophilus DivIB

Authors

Robson, S.A., Gorbatyuk, V.Y., Maciejewski, M.W., King, G.F.

Assembly

DivIB monomer

Entity

1. DivIB monomer (polymer, Thiol state: not present), 119 monomers, 13348.95 × 2 Da Detail

GSEWRRIAYV YDRQTFFPLL ENGRLLKQEG TKTAPSDAPV LVGWKDGDAI AEMTGQLAEL PAAVLGAMSE IHYKPTREYE DRVIVYMNDG YEVSATIRQF ADKLSHYPAI AAALDRNVK

Total weight

26697.9 Da

Max. entity weight

13348.95 Da

Source organism

Geobacillus stearothermophilus

Exptl. method

NMR

Refine. method

torsion angle dynamics (CANDID/CYANA) followed by simulated annealing (XPLOR)

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 94.8 %, Completeness (bb): 98.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.8 % (1303 of 1374)	98.9 % (703 of 711)	88.7 % (480 of 541)	98.4 % (120 of 122)
Backbone	98.9 % (694 of 702)	99.6 % (239 of 240)	98.9 % (345 of 349)	97.3 % (110 of 113)
Sidechain	91.2 % (714 of 783)	98.3 % (463 of 471)	79.9 % (242 of 303)	100.0 % (9 of 9)
Aromatic	50.8 % (60 of 118)	98.3 % (58 of 59)	0.0 % (0 of 57)	100.0 % (2 of 2)
Methyl	98.6 % (136 of 138)	98.6 % (68 of 69)	98.6 % (68 of 69)

1. DivIB beta domain

GSEWRRIAYV YDRQTFFPLL ENGRLLKQEG TKTAPSDAPV LVGWKDGDAI AEMTGQLAEL PAAVLGAMSE IHYKPTREYE DRVIVYMNDG YEVSATIRQF ADKLSHYPAI AAALDRNVK

Show sample condition

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 94.5 %, Completeness (bb): 97.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.5 % (2597 of 2748)	98.2 % (1396 of 1422)	89.1 % (964 of 1082)	97.1 % (237 of 244)
Backbone	97.9 % (1374 of 1404)	97.9 % (470 of 480)	98.3 % (686 of 698)	96.5 % (218 of 226)
Sidechain	91.6 % (1435 of 1566)	98.2 % (925 of 942)	81.2 % (492 of 606)	100.0 % (18 of 18)
Aromatic	55.9 % (132 of 236)	98.3 % (116 of 118)	10.5 % (12 of 114)	100.0 % (4 of 4)
Methyl	98.2 % (271 of 276)	98.6 % (136 of 138)	97.8 % (135 of 138)

1. DivIB beta domain

GSEWRRIAYV YDRQTFFPLL ENGRLLKQEG TKTAPSDAPV LVGWKDGDAI AEMTGQLAEL PAAVLGAMSE IHYKPTREYE DRVIVYMNDG YEVSATIRQF ADKLSHYPAI AAALDRNVK

Show sample condition

Sample

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

LACS Plot; CA

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

Referencing offset: -0.14 ppm, Outliers: 1 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
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.14 ppm, Outliers: 1 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
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.15 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
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.21 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 25 models in PDB: 1YR1, Strand ID: A Detail

Release date

2004-12-13

Citation

Backbone and side-chain 1H, 15N, and 13C assignments for the beta domain of the bacterial cell division protein DivIB
Robson, S.A., Gorbatyuk, V.Y., Maciejewski, M.W., King, G.F.
J. Biomol. NMR (2005), 31, 261-262, PubMed 15803402 , DOI 10.1007/s10858-005-0178-9 , Abstract

Related entities 1. DivIB monomer, : 1 : 1 : 1 : 32 entities Detail

Experiments performed 14 experiments Detail

1 2D 15N-edited HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

2 3D CBCA(CO)HN

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

3 3D HNCACB

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

4 3D (H)CC(CO)HN-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

5 3D H(CC)(CO)HN-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

6 3D HCCH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

7 3D 15N-edited NOESY-HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

8 3D 13C-edited NOESY-HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

9 2D 1H-1H NOESY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

10 2D 1H-1H TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

11 3D HNHA

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

12 3D HNHB

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

13 3D HNCO

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

14 3D HNCACO

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (500 MHz)

Sample #1

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	DivIB beta domain	[U-13C; U-15N]	1 mM
2	Sodium phosphate		10 mM
3	NaCl		150 mM
4	Sodium azide		1 mM
5	EDTA		10 uM
6	AEBSF		10 uM
7	D2O		7 % v/v

Sample #2

Pressure 1 (±0.02) atm, Temperature 308 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
8	DivIB beta domain	[U-15N]	1 mM
9	Sodium phosphate		10 mM
10	NaCl		150 mM
11	Sodium azide		1 mM
12	EDTA		10 uM
13	AEBSF		10 uM
14	D2O		7 % v/v

nullKeywords DivIB, NMR

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Found 1 Document (1.837 seconds)

BMRB: 6395

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. DivIB monomer, : 1 : 1 : 1 : 32 entities Detail

Experiments performed 14 experiments Detail

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