BMRBj - BMREntryMaster

Found 1 Document (1.92 seconds)

BMRB: 6494

1DBF

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Chorismate Mutase

Authors

Eletsky, A., Kienhofer, A., Hilvert, D., Pervushin, K.

Assembly

BsCM trimer

Entity

1. BsCM trimer (polymer, Thiol state: all free), 127 monomers, 14488.75 × 3 Da Detail

MMIRGIRGAT TVERDTEEEI LQKTKQLLEK IIEENHTKPE DVVQMLLSAT PDLHAVFPAK AVRELSGWQY VPVTCMQEMD VTGGLKKCIR VMMTVQTDVP QDQIRHVYLE KAVVLRPDLS LTKNTEL

Total weight

43466.25 Da

Max. entity weight

14488.75 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 52.1 %, Completeness (bb): 96.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	52.1 % (783 of 1503)	36.7 % (288 of 784)	63.7 % (374 of 587)	91.7 % (121 of 132)
Backbone	96.4 % (723 of 750)	97.2 % (246 of 253)	95.2 % (358 of 376)	98.3 % (119 of 121)
Sidechain	19.8 % (173 of 875)	7.9 % (42 of 531)	38.7 % (129 of 333)	18.2 % (2 of 11)
Aromatic	0.0 % (0 of 50)	0.0 % (0 of 25)	0.0 % (0 of 24)	0.0 % (0 of 1)
Methyl	15.7 % (27 of 172)	11.6 % (10 of 86)	19.8 % (17 of 86)

1. BsCM

MMIRGIRGAT TVERDTEEEI LQKTKQLLEK IIEENHTKPE DVVQMLLSAT PDLHAVFPAK AVRELSGWQY VPVTCMQEMD VTGGLKKCIR VMMTVQTDVP QDQIRHVYLE KAVVLRPDLS LTKNTEL

Show sample condition

Sample #1

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	BsCM	[U-13C; U-15N; U-2H]		0.0 ~ 0.0 mM

Sample #2

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	BsCM	[U-13C; U-15N; U-35% 2H]		0.0 ~ 0.0 mM

Sample #3

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	BsCM	[U-15N]		0.0 ~ 0.0 mM

Heteronucl. T₁

234 T₁ values in 2 lists
Coherence Sz, Field strength (¹H) 600 MHz, 900 MHz, Temperature 293 (±0.1) K, pH 7.5 (±0.1) Detail

Heteronucl. T₂

231 T₂ values in 2 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, 900 MHz, Temperature 293 (±0.1) K, pH 7.5 (±0.1) Detail

Heteronucl. NOE

114 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 600 MHz, Temperature 293 (±0.1) K, pH 7.5 (±0.1) Detail

Heteronucl. T₁/T₂

231 T₁/T₂ values in 2 lists
Field strength (¹H) 600 MHz, 900 MHz, Temperature 293 (±0.1) K, pH 7.5 (±0.1) Detail

Release date

2011-08-10

Citation

Investigation of ligand binding and protein dynamics in Bacillus subtilis chorismate mutase by transverse relaxation optimized spectroscopy-nuclear magnetic resonance
Eletsky, A., Kienhofer, A., Hilvert, D., Pervushin, K.
Biochemistry (2005), 44, 6788-6799, PubMed 15865424 , DOI 10.1021/bi0474259 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 6495 released on 2011-08-10
    Title Backbone 1H, 13C, and 15N Chemical Shift Assignments and relaxation data for Chorismate Mutase from Bacillus subtilis in complex with inhibitor
  BMRB: 6496 released on 2005-05-23
    Title Backbone 1H and 15N Chemical Shift Assignments for Chorismate Mutase from Bacillus subtilis in complex with prephenate

Related entities 1. BsCM trimer, : 1 : 4 : 2 : 19 entities Detail

Experiments performed 7 experiments Detail

1 TROSY-CT-HNCA

Instrument

Model na na (na MHz)

Sample #1

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	BsCM	[U-13C; U-15N; U-2H]		0.0 ~ 0.0 mM

Sample #2

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	BsCM	[U-13C; U-15N; U-35% 2H]		0.0 ~ 0.0 mM

Sample #3

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	BsCM	[U-15N]		0.0 ~ 0.0 mM

2 TROSY-HNCACB

Instrument

Model na na (na MHz)

Sample #1

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	BsCM	[U-13C; U-15N; U-2H]		0.0 ~ 0.0 mM

Sample #2

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	BsCM	[U-13C; U-15N; U-35% 2H]		0.0 ~ 0.0 mM

Sample #3

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	BsCM	[U-15N]		0.0 ~ 0.0 mM

3 TROSY-HNCA

Instrument

Model na na (na MHz)

Sample #1

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	BsCM	[U-13C; U-15N; U-2H]		0.0 ~ 0.0 mM

Sample #2

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	BsCM	[U-13C; U-15N; U-35% 2H]		0.0 ~ 0.0 mM

Sample #3

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	BsCM	[U-15N]		0.0 ~ 0.0 mM

4 TROSY-CBCACONH

Instrument

Model na na (na MHz)

Sample #1

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	BsCM	[U-13C; U-15N; U-2H]		0.0 ~ 0.0 mM

Sample #2

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	BsCM	[U-13C; U-15N; U-35% 2H]		0.0 ~ 0.0 mM

Sample #3

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	BsCM	[U-15N]		0.0 ~ 0.0 mM

5 NOESY-TROSY

Instrument

Model na na (na MHz)

Sample #1

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	BsCM	[U-13C; U-15N; U-2H]		0.0 ~ 0.0 mM

Sample #2

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	BsCM	[U-13C; U-15N; U-35% 2H]		0.0 ~ 0.0 mM

Sample #3

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	BsCM	[U-15N]		0.0 ~ 0.0 mM

6 TOCSY-TROSY

Instrument

Model na na (na MHz)

Sample #1

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	BsCM	[U-13C; U-15N; U-2H]		0.0 ~ 0.0 mM

Sample #2

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	BsCM	[U-13C; U-15N; U-35% 2H]		0.0 ~ 0.0 mM

Sample #3

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	BsCM	[U-15N]		0.0 ~ 0.0 mM

7 MQ-HACACO

Instrument

Model na na (na MHz)

Sample #1

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	BsCM	[U-13C; U-15N; U-2H]		0.0 ~ 0.0 mM

Sample #2

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	BsCM	[U-13C; U-15N; U-35% 2H]		0.0 ~ 0.0 mM

Sample #3

Temperature 293 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	BsCM	[U-15N]		0.0 ~ 0.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts, Heteronucl NOE exptl data, Heteronucl T1 relaxation data, Heteronucl T2 relaxation data	bmr6494_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	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr6494_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	Backbone_chemical_shift_of_unliganded_BsCM	Warning	717		100.0 (chain: 1, length: 127)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: Backbone_chemical_shift_of_unliganded_BsCM
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 127, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 354
  - ¹H chemical shifts: 245
  - ¹⁵N chemical shifts: 118
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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 (%)
¹³C chemical shifts	254	244	96.1
¹H chemical shifts	253	245	96.8
¹⁵N chemical shifts	121	118	97.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	587	354	60.3
¹H chemical shifts	784	245	31.2
¹⁵N chemical shifts	139	118	84.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	333	110	33.0
¹H chemical shifts	531	0	0.0
¹⁵N chemical shifts	18	0	0.0

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Found 1 Document (1.92 seconds)

BMRB: 6494

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Entries sharing articles BMRB: 2 entries Detail

Related entities 1. BsCM trimer, : 1 : 4 : 2 : 19 entities Detail

Experiments performed 7 experiments Detail

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Chemical shift validation 3 contents Detail