BMRB: 11202

Solution structure of the PDZ domain of Spinophilin/NeurabinII protein

Authors

Qin, X., Hayashi, F., Yokoyama, S.

Assembly

Neurabin-I

Entity

1. Neurabin-I (polymer, Thiol state: not present), 107 monomers, 10943.16 Da Detail

GSSGSSGLEL FPVELEKDED GLGISIIGMG VGADAGLEKL GIFVKTVTEG GAAQRDGRIQ VNDQIVEVDG ISLVGVTQNF AATVLRNTKG NVRFVIGREK PSGPSSG

Formula weight

10943.16 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.3 %, Completeness (bb): 96.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	97.3 % (1115 of 1146)	97.5 % (575 of 590)	97.1 % (431 of 444)	97.3 % (109 of 112)
Backbone	96.2 % (612 of 636)	95.7 % (220 of 230)	96.4 % (291 of 302)	97.1 % (101 of 104)
Sidechain	97.7 % (584 of 598)	97.2 % (350 of 360)	98.3 % (226 of 230)	100.0 % (8 of 8)
Aromatic	100.0 % (40 of 40)	100.0 % (20 of 20)	100.0 % (20 of 20)
Methyl	97.0 % (130 of 134)	97.0 % (65 of 67)	97.0 % (65 of 67)

1. PDZ domain

GSSGSSGLEL FPVELEKDED GLGISIIGMG VGADAGLEKL GIFVKTVTEG GAAQRDGRIQ VNDQIVEVDG ISLVGVTQNF AATVLRNTKG NVRFVIGREK PSGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 6.0 (±0.05), Details 1.05mM 13C, 15N-labeled {protein;} 20mM {PiNa(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]	protein	1.05 mM
2	PiNa	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	100 mM
4	d-DTT	natural abundance	salt	1 mM
5	NaN3	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: -0.21 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.21 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.03 ppm, Outliers: 3 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.15 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 1WF8, Strand ID: A Detail

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Release date

2011-07-20

Citation

Solution structure of the PDZ domain of Spinophilin/NeurabinII protein
Qin, X., Hayashi, F., Yokoyama, S.

Related entities 1. Neurabin-I, : 1 : 5 : 454 entities Detail

Interaction partners 1. Neurabin-I, : 19 interactors Detail

Experiments performed 2 experiments Detail