BMRBj - BMREntryMaster

Found 1 Document (2.463 seconds)

BMRB: 17332

2L7A

Solution Structure of the talin Vbs2b domain

Authors

Goult, B.T., Gingras, A.R., Bate, N., Roberts, G.C.K., Barsukov, I.L., Critchley, D.R.

Assembly

vbs2b

Entity

1. vbs2b (polymer, Thiol state: all free), 131 monomers, 13652.03 Da Detail

GIDPFTAHAT GAGPAGRYDQ ATDTILTVTE NIFSSMGDAG EMVRQARILA QATSDLVNAI KADAEGESDL ENSRKLLSAA KILADATAKM VEAAKGAAAH PDSEEQQQRL REAAEGLRMA TNAAAQNAIK K

Formula weight

13652.03 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 98.2 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.2 % (1360 of 1385)	98.3 % (700 of 712)	97.7 % (521 of 533)	99.3 % (139 of 140)
Backbone	98.1 % (765 of 780)	98.1 % (263 of 268)	97.7 % (375 of 384)	99.2 % (127 of 128)
Sidechain	98.5 % (716 of 727)	98.4 % (437 of 444)	98.5 % (267 of 271)	100.0 % (12 of 12)
Aromatic	88.9 % (32 of 36)	88.9 % (16 of 18)	88.9 % (16 of 18)
Methyl	100.0 % (156 of 156)	100.0 % (78 of 78)	100.0 % (78 of 78)

1. Vbs2b

GIDPFTAHAT GAGPAGRYDQ ATDTILTVTE NIFSSMGDAG EMVRQARILA QATSDLVNAI KADAEGESDL ENSRKLLSAA KILADATAKM VEAAKGAAAH PDSEEQQQRL REAAEGLRMA TNAAAQNAIK K

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Vbs2b	[U-100% 15N]	1 (±0.05) mM
2	D2O	[U-100% 2H]	10 (±0.01) %
3	sodium chloride	natural abundance	50 (±0.01) mM
4	DTT	natural abundance	2 (±0.01) mM
5	TRIS	natural abundance	20 (±0.01) mM
6	H2O	natural abundance	90 (±0.01) %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	Vbs2b	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
8	D2O	[U-100% 2H]	10 (±0.01) %
9	sodium chloride	natural abundance	50 (±0.01) mM
10	DTT	natural abundance	2 (±0.01) mM
11	TRIS	natural abundance	20 (±0.01) mM
12	H2O	natural abundance	90 (±0.01) %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
13	Vbs2b	[U-100% 15N]	1 (±0.05) mM
14	D2O	[U-100% 2H]	100 (±0.01) %
15	sodium chloride	natural abundance	50 (±0.01) mM
16	DTT	natural abundance	2 (±0.01) mM
17	TRIS	natural abundance	20 (±0.01) mM

LACS Plot; CA

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

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.45 ppm, Outliers: 4 Detail

Release date

2012-07-24

Citation

High resolution NMR structure of gpW (W protein of bacteriophage lambda) at acidic pH
Goult, B.T., Gingras, A.R., Bate, N., Roberts, G.C.K., Barsukov, I.L., Critchley, D.R.
Not known

Related entities 1. vbs2b, : 1 : 5 : 12 entities Detail

Interaction partners 1. vbs2b, : 31 interactors Detail

More details for 31 interactors identified by 13 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Vbs2b	[U-100% 15N]	1 (±0.05) mM
2	D2O	[U-100% 2H]	10 (±0.01) %
3	sodium chloride	natural abundance	50 (±0.01) mM
4	DTT	natural abundance	2 (±0.01) mM
5	TRIS	natural abundance	20 (±0.01) mM
6	H2O	natural abundance	90 (±0.01) %

2 2D 1H-13C HSQC

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	Vbs2b	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
8	D2O	[U-100% 2H]	10 (±0.01) %
9	sodium chloride	natural abundance	50 (±0.01) mM
10	DTT	natural abundance	2 (±0.01) mM
11	TRIS	natural abundance	20 (±0.01) mM
12	H2O	natural abundance	90 (±0.01) %

3 2D 1H-1H NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
13	Vbs2b	[U-100% 15N]	1 (±0.05) mM
14	D2O	[U-100% 2H]	100 (±0.01) %
15	sodium chloride	natural abundance	50 (±0.01) mM
16	DTT	natural abundance	2 (±0.01) mM
17	TRIS	natural abundance	20 (±0.01) mM

4 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	Vbs2b	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
8	D2O	[U-100% 2H]	10 (±0.01) %
9	sodium chloride	natural abundance	50 (±0.01) mM
10	DTT	natural abundance	2 (±0.01) mM
11	TRIS	natural abundance	20 (±0.01) mM
12	H2O	natural abundance	90 (±0.01) %

5 3D HCCH-TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	Vbs2b	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
8	D2O	[U-100% 2H]	10 (±0.01) %
9	sodium chloride	natural abundance	50 (±0.01) mM
10	DTT	natural abundance	2 (±0.01) mM
11	TRIS	natural abundance	20 (±0.01) mM
12	H2O	natural abundance	90 (±0.01) %

6 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	Vbs2b	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
8	D2O	[U-100% 2H]	10 (±0.01) %
9	sodium chloride	natural abundance	50 (±0.01) mM
10	DTT	natural abundance	2 (±0.01) mM
11	TRIS	natural abundance	20 (±0.01) mM
12	H2O	natural abundance	90 (±0.01) %

7 3D 1H-15N NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Vbs2b	[U-100% 15N]	1 (±0.05) mM
2	D2O	[U-100% 2H]	10 (±0.01) %
3	sodium chloride	natural abundance	50 (±0.01) mM
4	DTT	natural abundance	2 (±0.01) mM
5	TRIS	natural abundance	20 (±0.01) mM
6	H2O	natural abundance	90 (±0.01) %

8 3D 1H-13C NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	Vbs2b	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
8	D2O	[U-100% 2H]	10 (±0.01) %
9	sodium chloride	natural abundance	50 (±0.01) mM
10	DTT	natural abundance	2 (±0.01) mM
11	TRIS	natural abundance	20 (±0.01) mM
12	H2O	natural abundance	90 (±0.01) %

9 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	Vbs2b	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
8	D2O	[U-100% 2H]	10 (±0.01) %
9	sodium chloride	natural abundance	50 (±0.01) mM
10	DTT	natural abundance	2 (±0.01) mM
11	TRIS	natural abundance	20 (±0.01) mM
12	H2O	natural abundance	90 (±0.01) %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr17332_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: bmr17332_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1547		99.2 (chain: 1, length: 131)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 131, Sequence coverage: 99.2%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GIDPFTAHATGAGPAGRYDQATDTILTVTENIFSSMGDAGEMVRQARILAQATSDLVNAIKADAEGESDLENSRKLLSAAKILADATAKMVEAAKGAAAH
 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
.IDPFTAHATGAGPAGRYDQATDTILTVTENIFSSMGDAGEMVRQARILAQATSDLVNAIKADAEGESDLENSRKLLSAAKILADATAKMVEAAKGAAAH

-------110-------120-------130-
PDSEEQQQRLREAAEGLRMATNAAAQNAIKK
|||||||||||||||||||||||||||||||
PDSEEQQQRLREAAEGLRMATNAAAQNAIKK

Total number of assignments
- ¹H chemical shifts: 877
- ¹³C chemical shifts: 522
- ¹⁵N chemical shifts: 148

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
17	ARG	HH11	6.707
17	ARG	HH12	6.707
17	ARG	HH21	6.707
17	ARG	HH22	6.707
17	ARG	NH1	71.567
17	ARG	NH2	71.567
44	ARG	HH11	6.844
44	ARG	HH12	6.844
44	ARG	HH21	6.844
44	ARG	HH22	6.844
44	ARG	NH1	71.504
44	ARG	NH2	71.504

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	712	705	99.0
¹³C chemical shifts	533	522	97.9
¹⁵N chemical shifts	147	144	98.0

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	268	264	98.5
¹³C chemical shifts	262	255	97.3
¹⁵N chemical shifts	128	126	98.4

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	444	441	99.3
¹³C chemical shifts	271	267	98.5
¹⁵N chemical shifts	19	18	94.7

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	82	82	100.0
¹³C chemical shifts	82	80	97.6

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	16	88.9
¹³C chemical shifts	18	16	88.9

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

Keywords focal adhesion, helical bundle, integrin, rod, talin

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Found 1 Document (2.463 seconds)

BMRB: 17332

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. vbs2b, : 1 : 5 : 12 entities Detail

Interaction partners 1. vbs2b, : 31 interactors Detail

Experiments performed 9 experiments Detail

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Chemical shift validation 3 contents Detail