BMRBj - BMREntryMaster

Found 1 Document (1.542 seconds)

BMRB: 6904

2K1X

1H, 13C and 15N resonance assignment of M-crystallin: a novel Ca2+ binding protein of the bg-crystallin superfamily from Methanosarcina acetivorans

Authors

Barnwal, R.P., Jobby, M., Sharma, Y., Chary, K.V.R.

Assembly

M-Crystallin Ca2+ loaded (HOLO) monomer

Entity

1. M-Crystallin (polymer, Thiol state: not present), 85 monomers, 9376.105 Da Detail

MNAAEVIVYE HVNFGGKSFD ATSDQPGAGD NLNDKISSIK VKSGTWRFYE YINYGGRYWD LGPGEYSSVE SAGIPDNSIS SFRQI

2. CA (non-polymer), 40.078 Da

Total weight

9416.184 Da

Max. entity weight

9376.105 Da

Source organism

Methanosarcina acetivorans

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.3 %, Completeness (bb): 98.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.3 % (829 of 961)	87.9 % (436 of 496)	83.6 % (312 of 373)	88.0 % (81 of 92)
Backbone	98.4 % (496 of 504)	97.7 % (173 of 177)	98.8 % (242 of 245)	98.8 % (81 of 82)
Sidechain	76.5 % (407 of 532)	82.4 % (263 of 319)	70.9 % (144 of 203)	0.0 % (0 of 10)
Aromatic	32.8 % (38 of 116)	65.5 % (38 of 58)	0.0 % (0 of 56)	0.0 % (0 of 2)
Methyl	100.0 % (70 of 70)	100.0 % (35 of 35)	100.0 % (35 of 35)

1. M-Crystallin

MNAAEVIVYE HVNFGGKSFD ATSDQPGAGD NLNDKISSIK VKSGTWRFYE YINYGGRYWD LGPGEYSSVE SAGIPDNSIS SFRQI

Show sample condition

Sample #1

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	M-Crystallin	[U-99% 15N]		1.1 mM
2	CALCIUM (II) ION			6.6 mM

Sample #2

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	M-Crystallin	[U-99% 13C; U-99% 15N]		0.9 mM
4	CALCIUM (II) ION			5.4 mM

LACS Plot; CA

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

Referencing offset: 3.01 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 3.01 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.09 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 3.83 ppm, Outliers: 2 Detail

Release date

2005-12-14

Citation

NMR assignment of M-crystallin: a novel Ca2+ binding protein of the betagamma-crystallin superfamily from Methanosarcina acetivorans
Barnwal, R.P., Jobby, M., Sharma, Y., Chary, K.V.R.
J. Biomol. NMR (2006), 36 Suppl 1, 32-32, PubMed 16607466 , DOI 10.1007/s10858-006-0016-8 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 6903 released on 2005-12-14
Title 1H, 13C and 15N resonance assignment of M-crystallin: a novel Ca2+ binding protein of the bg-crystallin superfamily from Methanosarcina acetivorans

Related entities 1. M-Crystallin, : 1 : 1 : 2 : 443 entities Detail

Experiments performed 6 experiments Detail

1 HNCO

Instrument

#1 Model Bruker Biospin (800 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	M-Crystallin	[U-99% 15N]		1.1 mM
2	CALCIUM (II) ION			6.6 mM

Sample #2

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	M-Crystallin	[U-99% 13C; U-99% 15N]		0.9 mM
4	CALCIUM (II) ION			5.4 mM

2 HN(CA)CO

Instrument

#1 Model Bruker Biospin (800 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	M-Crystallin	[U-99% 15N]		1.1 mM
2	CALCIUM (II) ION			6.6 mM

Sample #2

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	M-Crystallin	[U-99% 13C; U-99% 15N]		0.9 mM
4	CALCIUM (II) ION			5.4 mM

3 CBCANH

Instrument

#1 Model Bruker Biospin (800 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	M-Crystallin	[U-99% 15N]		1.1 mM
2	CALCIUM (II) ION			6.6 mM

Sample #2

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	M-Crystallin	[U-99% 13C; U-99% 15N]		0.9 mM
4	CALCIUM (II) ION			5.4 mM

4 CBCA(CO)NH

Instrument

#1 Model Bruker Biospin (800 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	M-Crystallin	[U-99% 15N]		1.1 mM
2	CALCIUM (II) ION			6.6 mM

Sample #2

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	M-Crystallin	[U-99% 13C; U-99% 15N]		0.9 mM
4	CALCIUM (II) ION			5.4 mM

5 1H-15N TOCSY-HSQC

Instrument

#1 Model Bruker Biospin (800 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	M-Crystallin	[U-99% 15N]		1.1 mM
2	CALCIUM (II) ION			6.6 mM

Sample #2

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	M-Crystallin	[U-99% 13C; U-99% 15N]		0.9 mM
4	CALCIUM (II) ION			5.4 mM

6 1H-15N NOESY-HSQC

Instrument

#1 Model Bruker Biospin (800 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	M-Crystallin	[U-99% 15N]		1.1 mM
2	CALCIUM (II) ION			6.6 mM

Sample #2

Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	M-Crystallin	[U-99% 13C; U-99% 15N]		0.9 mM
4	CALCIUM (II) ION			5.4 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6904_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: bmr6904_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	900		98.8 (chain: 1, length: 85)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 85, Sequence coverage: 98.8%
- Total number of assignments
  - ¹H chemical shifts: 509
  - ¹³C chemical shifts: 311
  - ¹⁵N chemical shifts: 80
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- 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	496	439	88.5
¹³C chemical shifts	373	311	83.4
¹⁵N chemical shifts	95	80	84.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	177	174	98.3
¹³C chemical shifts	170	168	98.8
¹⁵N chemical shifts	82	80	97.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	319	265	83.1
¹³C chemical shifts	203	143	70.4
¹⁵N chemical shifts	13	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	58	38	65.5
¹³C chemical shifts	56	0	0.0
¹⁵N chemical shifts	2	0	0.0

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Found 1 Document (1.542 seconds)

BMRB: 6904

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. M-Crystallin, : 1 : 1 : 2 : 443 entities Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 4 contents Detail