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BMRB: 18569

1EGX

13C, 15N and 1H backbone and sidechain assignments of the ENA-VASP homology 1 (EVH1) domain of the human vasodilator-stimulated phosphoprotein (VASP)

Authors

Ball, L.J., Peter, S., Jarchau, T., Walter, U., Oschkinat, H.

Assembly

EVH1

Entity

1. EVH1 (polymer, Thiol state: all free), 115 monomers, 12732.24 Da Detail

MSETVICSSR ATVMLYDDGN KRWLPAGTGP QAFSRVQIYH NPTANSFRVV GRKMQPDQQV VINCAIVRGV KYNQATPNFH QWRDARQVWG LNFGSKEDAA QFAAGMASAL EALEG

Formula weight

12732.24 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing torsion angle dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.3 %, Completeness (bb): 85.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.3 % (1186 of 1314)	98.1 % (669 of 682)	77.1 % (388 of 503)	100.0 % (129 of 129)
Backbone	85.1 % (579 of 680)	100.0 % (234 of 234)	70.2 % (236 of 336)	99.1 % (109 of 110)
Sidechain	94.5 % (699 of 740)	95.5 % (428 of 448)	92.3 % (252 of 273)	100.0 % (19 of 19)
Aromatic	89.8 % (106 of 118)	91.5 % (54 of 59)	87.5 % (49 of 56)	100.0 % (3 of 3)
Methyl	94.7 % (108 of 114)	100.0 % (57 of 57)	89.5 % (51 of 57)

1. EVH1

MSETVICSSR ATVMLYDDGN KRWLPAGTGP QAFSRVQIYH NPTANSFRVV GRKMQPDQQV VINCAIVRGV KYNQATPNFH QWRDARQVWG LNFGSKEDAA QFAAGMASAL EALEG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
6	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
7	D2O	natural abundance	10 %
8	potassium phosphate, pH 6.0	natural abundance	20 mM
9	potassium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.2 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
11	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
12	D2O	natural abundance	100 %
13	potassium phosphate, pH 6.0	natural abundance	20 mM
14	potassium chloride	natural abundance	50 mM
15	sodium azide	natural abundance	0.2 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
16	EVH1	[U-100% 15N]	2 mM
17	D2O	natural abundance	100 %
18	potassium phosphate, pH 6.0	natural abundance	20 mM
19	potassium chloride	natural abundance	50 mM
20	sodium azide	natural abundance	0.2 mM

LACS Plot; CA

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

Referencing offset: -0.13 ppm, Outliers: 5 Detail

LACS Plot; CB

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

Referencing offset: -0.13 ppm, Outliers: 5 Detail

LACS Plot; HA

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

Referencing offset: -0.11 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 1EGX, Strand ID: A Detail

Release date

2012-07-08

Citation

Dual epitope recognition by the VASP EVH1 domain modulates polyproline ligand specificity and binding affinity
Ball, L.J., Kuehne, R., Hoffmann, B., Haefner, A., Schmieder, P., Volkmer, R., Hof, M., Wahl, M., Schneider-Mergener, J., Walter, U., Oschkinat, H., Jarchau, T.
EMBO J. (2000), 19, 4903-4914, PubMed 10990454 , DOI 10.1093/emboj/19.18.4903 , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

  BMRB: 5754 released on 2004-04-06
    Title 1H, 13C and 15N backbone resonance assignment of the VASP EVH1 domain
  Swiss-Prot: P50552 released on 1996-10-01
    Title VASP_HUMAN Entity Vasodilator-stimulated phosphoprotein

Related entities 1. EVH1, : 1 : 2 : 167 entities Detail

Interaction partners 1. EVH1, : 41 interactors Detail

More details for 41 interactors identified by 22 citations

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

2 2D 1H-1H NOESY

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

3 2D 1H-1H TOCSY

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

4 2D DQF-COSY

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

5 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
6	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
7	D2O	natural abundance	10 %
8	potassium phosphate, pH 6.0	natural abundance	20 mM
9	potassium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.2 mM

6 3D CBCANH

Instrument

Bruker DRX - 600 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
6	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
7	D2O	natural abundance	10 %
8	potassium phosphate, pH 6.0	natural abundance	20 mM
9	potassium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.2 mM

7 3D C(CO)NH

Instrument

Bruker DRX - 600 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
6	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
7	D2O	natural abundance	10 %
8	potassium phosphate, pH 6.0	natural abundance	20 mM
9	potassium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.2 mM

8 3D H(CCO)NH

Instrument

Bruker DRX - 600 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
6	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
7	D2O	natural abundance	10 %
8	potassium phosphate, pH 6.0	natural abundance	20 mM
9	potassium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.2 mM

9 3D HBHA(CO)NH

Instrument

Bruker DRX - 600 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
6	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
7	D2O	natural abundance	10 %
8	potassium phosphate, pH 6.0	natural abundance	20 mM
9	potassium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.2 mM

10 3D 1H-15N NOESY

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

11 3D 1H-15N TOCSY

Instrument

Bruker DRX - 600 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

12 3D HNHA

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

13 3D HNHB

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

14 3D 1H-13C NOESY

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
11	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
12	D2O	natural abundance	100 %
13	potassium phosphate, pH 6.0	natural abundance	20 mM
14	potassium chloride	natural abundance	50 mM
15	sodium azide	natural abundance	0.2 mM

15 3D 1H-13C NOESY aliphatic

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
6	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
7	D2O	natural abundance	10 %
8	potassium phosphate, pH 6.0	natural abundance	20 mM
9	potassium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.2 mM

16 3D 1H-13C NOESY aromatic

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
6	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
7	D2O	natural abundance	10 %
8	potassium phosphate, pH 6.0	natural abundance	20 mM
9	potassium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.2 mM

17 3D HCCH-TOCSY

Instrument

Bruker DRX - 600 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
11	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
12	D2O	natural abundance	100 %
13	potassium phosphate, pH 6.0	natural abundance	20 mM
14	potassium chloride	natural abundance	50 mM
15	sodium azide	natural abundance	0.2 mM

18 2D 1H-13C HSQC

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 13C, U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
6	EVH1	[U-100% 13C; U-100% 15N]	1.3 mM
7	D2O	natural abundance	10 %
8	potassium phosphate, pH 6.0	natural abundance	20 mM
9	potassium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.2 mM

19 2D 1H-15N HSQC exchange series

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
16	EVH1	[U-100% 15N]	2 mM
17	D2O	natural abundance	100 %
18	potassium phosphate, pH 6.0	natural abundance	20 mM
19	potassium chloride	natural abundance	50 mM
20	sodium azide	natural abundance	0.2 mM

20 2D 15N T1 and T2 relaxation series

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

21 2D 15N-1H heteronuclear NOE on and off

Instrument

Bruker DMX - 750 MHz standard configuration with triple resonance probes equipped with self-shielded triple axis gradient coils

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0, Details [U-100% 15N]-labelled EVH1 domain of human VASP, pH 6.0

#	Name	Isotope labeling	Concentration
1	EVH1	[U-100% 15N]	2 mM
2	D2O	natural abundance	10 %
3	potassium phosphate, pH 6.0	natural abundance	20 mM
4	potassium chloride	natural abundance	50 mM
5	sodium azide	natural abundance	0.2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr18569_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: bmr18569_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1297		100.0 (chain: 1, length: 115)
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: 115, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 789
  - ¹³C chemical shifts: 371
  - ¹⁵N chemical shifts: 137
- 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	682	669	98.1
¹³C chemical shifts	503	371	73.8
¹⁵N chemical shifts	137	137	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	234	234	100.0
¹³C chemical shifts	230	116	50.4
¹⁵N chemical shifts	110	110	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	448	435	97.1
¹³C chemical shifts	273	255	93.4
¹⁵N chemical shifts	27	27	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	60	98.4
¹³C chemical shifts	61	54	88.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	59	54	91.5
¹³C chemical shifts	56	49	87.5
¹⁵N chemical shifts	3	3	100.0

Keywords ActA, EVH1 domain, FPPP motif, NMR structure, VASP, zyxin

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Found 1 Document (3.191 seconds)

BMRB: 18569

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. EVH1, : 1 : 2 : 167 entities Detail

Interaction partners 1. EVH1, : 41 interactors Detail

Experiments performed 21 experiments Detail

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Chemical shift validation 3 contents Detail