BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	95.9 % (833 of 869)	94.6 % (436 of 461)	97.3 % (330 of 339)	97.1 % (67 of 69)
Backbone	96.0 % (380 of 396)	94.7 % (125 of 132)	96.5 % (193 of 200)	96.9 % (62 of 64)
Sidechain	96.1 % (518 of 539)	94.5 % (311 of 329)	98.5 % (202 of 205)	100.0 % (5 of 5)
Aromatic	95.0 % (76 of 80)	90.0 % (36 of 40)	100.0 % (39 of 39)	100.0 % (1 of 1)
Methyl	100.0 % (76 of 76)	100.0 % (38 of 38)	100.0 % (38 of 38)

1. VHD

QYKIYPYDSL IVTNRIRVKL PKDVDRTRLE RHLSPEEFQE VFGMSIEEFD RLALWKRNDL KKKALLF

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
1	VHD	natural abundance	0.7 (±0.02) mM
2	sodium phosphate	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	50 (±0.1) mM
4	DTT	natural abundance	2 (±0.1) mM
5	sodium azide	natural abundance	0.02 (±5.0E-4) %
6	D2O	natural abundance	100 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
7	VHD	[U-99% 15N]	0.7 (±0.02) mM
8	sodium phosphate	natural abundance	20 (±0.1) mM
9	sodium chloride	natural abundance	50 (±0.1) mM
10	DTT	natural abundance	2 (±0.1) mM
11	sodium azide	natural abundance	0.02 (±5.0E-4) %
12	D2O	natural abundance	5 %
13	H2O	natural abundance	95 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
14	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
15	sodium phosphate	natural abundance	20 (±0.1) mM
16	sodium chloride	natural abundance	50 (±0.1) mM
17	DTT	natural abundance	2 (±0.1) mM
18	sodium azide	natural abundance	0.02 (±5.0E-4) %
19	D2O	natural abundance	5 %
20	H2O	natural abundance	95 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
21	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
22	sodium phosphate	natural abundance	20 (±0.1) mM
23	sodium chloride	natural abundance	50 (±0.1) mM
24	DTT	natural abundance	2 (±0.1) mM
25	sodium azide	natural abundance	0.02 (±5.0E-4) %
26	D2O	natural abundance	100 %

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: 0.16 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: 0.16 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: 0.12 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: 0.04 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L3X, Strand ID: A Detail

Release date

2010-10-21

Citation

Solution NMR study of the actin binding domain of ABLIM2
Bruton, S., Pfuhl, M.
Not known

Related entities 1. VHD monomer, : 1 : 6 : 100 entities Detail

Interaction partners 1. VHD monomer, : 5 interactors Detail

More details for 5 interactors identified by 4 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
7	VHD	[U-99% 15N]	0.7 (±0.02) mM
8	sodium phosphate	natural abundance	20 (±0.1) mM
9	sodium chloride	natural abundance	50 (±0.1) mM
10	DTT	natural abundance	2 (±0.1) mM
11	sodium azide	natural abundance	0.02 (±5.0E-4) %
12	D2O	natural abundance	5 %
13	H2O	natural abundance	95 %

2 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
14	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
15	sodium phosphate	natural abundance	20 (±0.1) mM
16	sodium chloride	natural abundance	50 (±0.1) mM
17	DTT	natural abundance	2 (±0.1) mM
18	sodium azide	natural abundance	0.02 (±5.0E-4) %
19	D2O	natural abundance	5 %
20	H2O	natural abundance	95 %

3 3D HNCACB

Instrument

Bruker Avance - 600 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
14	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
15	sodium phosphate	natural abundance	20 (±0.1) mM
16	sodium chloride	natural abundance	50 (±0.1) mM
17	DTT	natural abundance	2 (±0.1) mM
18	sodium azide	natural abundance	0.02 (±5.0E-4) %
19	D2O	natural abundance	5 %
20	H2O	natural abundance	95 %

4 3D HNCO

Instrument

Bruker Avance - 600 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
14	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
15	sodium phosphate	natural abundance	20 (±0.1) mM
16	sodium chloride	natural abundance	50 (±0.1) mM
17	DTT	natural abundance	2 (±0.1) mM
18	sodium azide	natural abundance	0.02 (±5.0E-4) %
19	D2O	natural abundance	5 %
20	H2O	natural abundance	95 %

5 3D HNCACO

Instrument

Bruker Avance - 600 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
14	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
15	sodium phosphate	natural abundance	20 (±0.1) mM
16	sodium chloride	natural abundance	50 (±0.1) mM
17	DTT	natural abundance	2 (±0.1) mM
18	sodium azide	natural abundance	0.02 (±5.0E-4) %
19	D2O	natural abundance	5 %
20	H2O	natural abundance	95 %

6 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
7	VHD	[U-99% 15N]	0.7 (±0.02) mM
8	sodium phosphate	natural abundance	20 (±0.1) mM
9	sodium chloride	natural abundance	50 (±0.1) mM
10	DTT	natural abundance	2 (±0.1) mM
11	sodium azide	natural abundance	0.02 (±5.0E-4) %
12	D2O	natural abundance	5 %
13	H2O	natural abundance	95 %

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
14	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
15	sodium phosphate	natural abundance	20 (±0.1) mM
16	sodium chloride	natural abundance	50 (±0.1) mM
17	DTT	natural abundance	2 (±0.1) mM
18	sodium azide	natural abundance	0.02 (±5.0E-4) %
19	D2O	natural abundance	5 %
20	H2O	natural abundance	95 %

8 2D NOESY

Instrument

Bruker Avance - 800 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
1	VHD	natural abundance	0.7 (±0.02) mM
2	sodium phosphate	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	50 (±0.1) mM
4	DTT	natural abundance	2 (±0.1) mM
5	sodium azide	natural abundance	0.02 (±5.0E-4) %
6	D2O	natural abundance	100 %

9 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
21	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
22	sodium phosphate	natural abundance	20 (±0.1) mM
23	sodium chloride	natural abundance	50 (±0.1) mM
24	DTT	natural abundance	2 (±0.1) mM
25	sodium azide	natural abundance	0.02 (±5.0E-4) %
26	D2O	natural abundance	100 %

10 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
21	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
22	sodium phosphate	natural abundance	20 (±0.1) mM
23	sodium chloride	natural abundance	50 (±0.1) mM
24	DTT	natural abundance	2 (±0.1) mM
25	sodium azide	natural abundance	0.02 (±5.0E-4) %
26	D2O	natural abundance	100 %

11 2D 13C CT-HSQC

Instrument

Bruker Avance - 600 MHz 3 channels, cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05)

#	Name	Isotope labeling	Concentration
21	VHD	[U-99% 13C; U-99% 15N]	0.7 (±0.02) mM
22	sodium phosphate	natural abundance	20 (±0.1) mM
23	sodium chloride	natural abundance	50 (±0.1) mM
24	DTT	natural abundance	2 (±0.1) mM
25	sodium azide	natural abundance	0.02 (±5.0E-4) %
26	D2O	natural abundance	100 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr17206_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: bmr17206_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	ShiftList1	Warning	928		100.0 (chain: 1, length: 67)
1	Chemical shift references	Ref1	OK	3		No information

Assigned chemical shifts

Saveframe: ShiftList1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 67, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 529
  - ¹³C chemical shifts: 331
  - ¹⁵N chemical shifts: 68
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
39	GLN	CD	179.561
58	ASN	CG	174.835

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	461	451	97.8
¹³C chemical shifts	339	329	97.1
¹⁵N chemical shifts	76	68	89.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	132	129	97.7
¹³C chemical shifts	134	128	95.5
¹⁵N chemical shifts	64	62	96.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	329	322	97.9
¹³C chemical shifts	205	201	98.0
¹⁵N chemical shifts	12	6	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	39	100.0
¹³C chemical shifts	39	38	97.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	40	100.0
¹³C chemical shifts	39	39	100.0
¹⁵N chemical shifts	1	1	100.0

Keywords actin binding, Villin head piece domain

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Found 1 Document (1.08 seconds)

BMRB: 17206

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. VHD monomer, : 1 : 6 : 100 entities Detail

Interaction partners 1. VHD monomer, : 5 interactors Detail

Experiments performed 11 experiments Detail

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Chemical shift validation 3 contents Detail