BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	94.8 % (1153 of 1216)	95.1 % (596 of 627)	94.3 % (448 of 475)	95.6 % (109 of 114)
Backbone	96.4 % (621 of 644)	94.7 % (215 of 227)	97.8 % (306 of 313)	96.2 % (100 of 104)
Sidechain	93.9 % (626 of 667)	95.2 % (381 of 400)	91.8 % (236 of 257)	90.0 % (9 of 10)
Aromatic	84.2 % (101 of 120)	93.3 % (56 of 60)	74.1 % (43 of 58)	100.0 % (2 of 2)
Methyl	95.7 % (90 of 94)	95.7 % (45 of 47)	95.7 % (45 of 47)

1. entity 1

GSHMQYKLIL NGKTLKGETT TEAVDAATAE KVFKQYANDN GVDGEWTYDD ATKTYTVTEG SGGAGGQGMI QEPALPPGWE MKYTSEGVRY FVDHNTRTTT FKDPRPGFE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 2.08 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	2.08 mM
5	Na2HPO4	natural abundance	20 mM
6	NaCl	natural abundance	50 mM

LACS Plot; CA

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

Referencing offset: -0.1 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.1 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.12 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6RSS, Strand ID: A Detail

Release date

2019-10-16

Citation

Smad7 Binds Differently to Individual and Tandem WW3 and WW4 Domains of WWP2 Ubiquitin Ligase Isoforms
Wahl, L.C., Watt, J.E., Yim, H.T.T., De Bourcier, D., Tolchard, J., Soond, S.M., Blumenschein, T.M.A., Chantry, A.
Int. J. Mol. Sci. (2019), 20, PubMed 31546607 , DOI 10.3390/ijms20194682 , Abstract

Related entities 1. NEDD4-like E3 ubiquitin-protein ligase WWP2 (E.C.2.3.2.26), : 1 : 1 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

2 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

3 3D HNCACB

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

4 3D H(CCO)NH

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

5 3D C(CO)NH

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

6 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

7 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

8 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 2.08 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	2.08 mM
5	Na2HPO4	natural abundance	20 mM
6	NaCl	natural abundance	50 mM

9 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

10 2D 1H-1H NOESY aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 2.08 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	2.08 mM
5	Na2HPO4	natural abundance	20 mM
6	NaCl	natural abundance	50 mM

11 2D HbCbCgCdHd

Instrument

Bruker AVANCE - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 2.08 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	2.08 mM
5	Na2HPO4	natural abundance	20 mM
6	NaCl	natural abundance	50 mM

12 3D CCH-TOCSY

Instrument

Bruker AVANCE - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 2.08 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	2.08 mM
5	Na2HPO4	natural abundance	20 mM
6	NaCl	natural abundance	50 mM

13 2D 1H-13C TOCSY aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

14 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.2 mM [U-99% 13C; U-99% 15N] WWP2 WW4 domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	WWP2 WW4 domain	[U-99% 13C; U-99% 15N]	1.2 mM
2	Na2HPO4	natural abundance	20 mM
3	NaCl	natural abundance	50 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34407_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: bmr34407_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1249		98.2 (chain: 1, length: 109)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 109, Sequence coverage: 98.2%
- Total number of assignments
  - ¹H chemical shifts: 694
  - ¹³C chemical shifts: 446
  - ¹⁵N chemical shifts: 109
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	627	602	96.0
¹³C chemical shifts	475	446	93.9
¹⁵N chemical shifts	117	109	93.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	227	220	96.9
¹³C chemical shifts	218	212	97.2
¹⁵N chemical shifts	104	100	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	400	382	95.5
¹³C chemical shifts	257	234	91.1
¹⁵N chemical shifts	13	9	69.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	46	92.0
¹³C chemical shifts	50	45	90.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	55	91.7
¹³C chemical shifts	58	42	72.4
¹⁵N chemical shifts	2	2	100.0

Keywords E3 ubiquitin ligase, NEDD4, PPxY motif binding, PROTEIN BINDING, Three-stranded antiparallel beta-sheet

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Found 1 Document (0.509 seconds)

BMRB: 34407

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. NEDD4-like E3 ubiquitin-protein ligase WWP2 (E.C.2.3.2.26), : 1 : 1 entities Detail

Experiments performed 14 experiments Detail

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Chemical shift validation 3 contents Detail