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BMRB: 19258

2M8I

Pin1 WW domain

Authors

Luh, L.M., Kirchner, D.K., Loehr, F., Haensel, R., Doetsch, V.

Assembly

Pin1 WW domain

Entity

1. Pin1 WW domain (polymer, Thiol state: not present), 43 monomers, 5035.505 Da Detail

GLEHMADEEK LPPGWEKRMS RSSGRVYYFN HITNASQWER PSG

Formula weight

5035.505 Da

Source organism

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.7 %, Completeness: 91.7 %, Completeness (bb): 93.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.7 % (467 of 509)	91.9 % (248 of 270)	93.8 % (182 of 194)	82.2 % (37 of 45)
Backbone	93.3 % (235 of 252)	92.0 % (80 of 87)	96.0 % (120 of 125)	87.5 % (35 of 40)
Sidechain	91.6 % (271 of 296)	91.8 % (168 of 183)	93.5 % (101 of 108)	40.0 % (2 of 5)
Aromatic	89.7 % (52 of 58)	100.0 % (29 of 29)	77.8 % (21 of 27)	100.0 % (2 of 2)
Methyl	95.5 % (21 of 22)	90.9 % (10 of 11)	100.0 % (11 of 11)

1. entity

GLEHMADEEK LPPGWEKRMS RSSGRVYYFN HITNASQWER PSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

LACS Plot; CA

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -0.03 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M8I, Strand ID: A Detail

Release date

2014-09-07

Citation

In-cell NMR characterization of the secondary structure populations of a disordered conformation of α-synuclein within E. coli cells
Luh, L.M., Kirchner, D.K., Loehr, F., Haensel, R., Doetsch, V.
PLoS One (2013), 8, e72286-e72286, PubMed 23991082 , DOI 10.1371/journal.pone.0072286 , Abstract

Related entities 1. Pin1 WW domain, : 1 : 50 : 153 entities Detail

Interaction partners 1. Pin1 WW domain, : 141 interactors Detail

More details for 141 interactors identified by 38 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

4 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

5 3D HCACO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

6 3D C(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

7 3D H(CCO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

8 3D HBHA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

10 3D 1H-13C NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 291 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		0.0 ~ 0.0 mM
2	HEPES	natural abundance		25 mM
3	sodium chloride	natural abundance		50 mM
4	DTT	natural abundance		1 mM

nullKeywords Pin1, WW domain