BMRBj - BMREntryMaster

Found 1 Document (1.669 seconds)

BMRB: 6693

2EXN

Structure Determination of the Northeast Structural Genomics Consortium Target BoR11

Authors

Rossi, P.

Assembly

BoR11

Entity

1. BoR11 (polymer, Thiol state: all free), 136 monomers, 15277.17 Da Detail

MSTTAYQPIA ECGATTQSEA AAYQKRWLVA NDAGQWLNRD LCPRLAEVSV ELRMGYLVLK APGMLRLDIP LDVIEDDDSV RYQMLVGEQT VDVVDEGELA AAWISNHAGV PCRILKVHPD MAEVRWPSLE HHHHHH

Formula weight

15277.17 Da

Source organism

Cereibacter sphaeroides

Exptl. method

NMR

Refine. method

CS assignment: Backbone AutoAssign, manual sidechain HcCH-COSY and

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 92.9 %, Completeness (bb): 93.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.9 % (1431 of 1540)	92.4 % (732 of 792)	93.1 % (564 of 606)	95.1 % (135 of 142)
Backbone	93.9 % (753 of 802)	92.6 % (252 of 272)	94.5 % (379 of 401)	94.6 % (122 of 129)
Sidechain	92.3 % (800 of 867)	92.3 % (480 of 520)	91.9 % (307 of 334)	100.0 % (13 of 13)
Aromatic	80.4 % (90 of 112)	80.4 % (45 of 56)	78.8 % (41 of 52)	100.0 % (4 of 4)
Methyl	100.0 % (168 of 168)	100.0 % (84 of 84)	100.0 % (84 of 84)

1. BoR11

MSTTAYQPIA ECGATTQSEA AAYQKRWLVA NDAGQWLNRD LCPRLAEVSV ELRMGYLVLK APGMLRLDIP LDVIEDDDSV RYQMLVGEQT VDVVDEGELA AAWISNHAGV PCRILKVHPD MAEVRWPSLE HHHHHH

Show sample condition

Sample

Temperature 293 (±0.1) K, pH 6.5 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

LACS Plot; CA

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

Referencing offset: -0.15 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.15 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.31 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2EXN, Strand ID: A Detail

Release date

2005-06-15

Citation

1H, 13C, and 15N resonance assignments for the protein coded by gene locus BB0938 of Bordetella bronchiseptica
Rossi, P., Ramelot, T., Xiao, R., Ho, C., Ma, L., Acton, T., Kennedy, M., Montelione, G.
J. Biomol. NMR (2005), 33, 197-197, PubMed 16331425 , DOI 10.1007/s10858-005-2593-3 , Abstract

Related entities 1. BoR11, : 1 : 29 entities Detail

Experiments performed 33 experiments Detail

1 hCBCAcoNH

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

2 HcccoNH-TOCSY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

3 HNCA

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

4 HNCACB

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

5 HNCO

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

6 HNcoCA

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

7 NH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

8 NH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

9 NH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

10 13C-edited NOESY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

11 HCCcoNH-TOCSY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

12 HCCH-TOCSY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

13 HcccoNH-TOCSY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

14 HCCH-COSY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

15 CH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

16 CH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

17 CH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

18 15N-edited NOESY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

19 NH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

20 NH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

21 HCCH-TOCSY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

22 CH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

23 13C-edited NOESY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

24 HNHA

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

25 NH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

26 HBHAcbcacoNH

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

27 HBHAcbcaNH

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

28 NH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

29 HNCACO

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

30 NH_HSQC

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

31 H_COBB

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

32 HCCH-TOCSY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

33 HCCH-TOCSY

Instrument

Varian null - 750 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	BoR11	[U-100% 13C; U-100% 15N]	protein	0.7 mM
2	MES			20 mM
3	NaCl			100 mM
4	CaCl2			5 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %

Chemical shift validation 10 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts, Spectral peak lists	bmr6693_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr6693_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1603		94.1 (chain: 1, length: 136)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information
1	Spectral peak lists	spectral_peak_list_1	Error	261	Unknown	No information
2	Spectral peak lists	spectral_peak_list_4	Error	969	Unknown	No information
3	Spectral peak lists	spectral_peak_list_5	Error	247	Unknown	No information
4	Spectral peak lists	spectral_peak_list_6	Error	128	Unknown	No information
5	Spectral peak lists	spectral_peak_list_7	Error	152	Unknown	No information
6	Spectral peak lists	spectral_peak_list_8	Error	16	Unknown	No information
7	Spectral peak lists	spectral_peak_list_11	Error	180	Unknown	No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 136, Sequence coverage: 94.1%
- Total number of assignments
  - ¹H chemical shifts: 904
  - ¹³C chemical shifts: 559
  - ¹⁵N chemical shifts: 140
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	792	736	92.9
¹³C chemical shifts	606	559	92.2
¹⁵N chemical shifts	150	140	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	272	255	93.8
¹³C chemical shifts	272	256	94.1
¹⁵N chemical shifts	129	120	93.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	520	481	92.5
¹³C chemical shifts	334	303	90.7
¹⁵N chemical shifts	21	20	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	89	84	94.4
¹³C chemical shifts	89	84	94.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	56	43	76.8
¹³C chemical shifts	52	39	75.0
¹⁵N chemical shifts	4	4	100.0

Spectral peak lists

Saveframe: spectral_peak_list_1
- Status: Error
- Experiment type: Unknown
- Number of spectral dimensions: 3
- Total number of spectral peaks: 261
Saveframe: spectral_peak_list_4
- Status: Error
- Experiment type: Unknown
- Number of spectral dimensions: 3
- Total number of spectral peaks: 969
Saveframe: spectral_peak_list_5
- Status: Error
- Experiment type: Unknown
- Number of spectral dimensions: 3
- Total number of spectral peaks: 247
Saveframe: spectral_peak_list_6
- Status: Error
- Experiment type: Unknown
- Number of spectral dimensions: 3
- Total number of spectral peaks: 128
Saveframe: spectral_peak_list_7
- Status: Error
- Experiment type: Unknown
- Number of spectral dimensions: 3
- Total number of spectral peaks: 152
Saveframe: spectral_peak_list_8
- Status: Error
- Experiment type: Unknown
- Number of spectral dimensions: 3
- Total number of spectral peaks: 16
Saveframe: spectral_peak_list_11
- Status: Error
- Experiment type: Unknown
- Number of spectral dimensions: 3
- Total number of spectral peaks: 180

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Found 1 Document (1.669 seconds)

BMRB: 6693

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. BoR11, : 1 : 29 entities Detail

Experiments performed 33 experiments Detail

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