BMRB: 11248

Solution structure of the PDZ domain from mouse LIM domain kinase

Authors

Hayashi, F., Suetake, T., Yokoyama, S.

Assembly

LIM domain kinase 2

Entity

1. LIM domain kinase 2 (polymer, Thiol state: all free), 118 monomers, 12786.04 Da Detail

GSSGSSGVQD QLPYSVTLIS MPATTECRRG FSVTVESASS NYATTVQVKE VNRMHISPNN RNAIHPGDRI LEINGTPVRT LRVEEVEDAI KQTSQTLQLL IEHDPVPQRL DQSGPSSG

Formula weight

12786.04 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 96.8 %, Completeness (bb): 96.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	96.8 % (1258 of 1300)	96.4 % (652 of 676)	97.4 % (487 of 500)	96.0 % (119 of 124)
Backbone	96.4 % (667 of 692)	95.8 % (226 of 236)	97.1 % (336 of 346)	95.5 % (105 of 110)
Sidechain	97.4 % (699 of 718)	96.8 % (426 of 440)	98.1 % (259 of 264)	100.0 % (14 of 14)
Aromatic	84.2 % (32 of 38)	84.2 % (16 of 19)	84.2 % (16 of 19)
Methyl	100.0 % (134 of 134)	100.0 % (67 of 67)	100.0 % (67 of 67)

1. PDZ domain

GSSGSSGVQD QLPYSVTLIS MPATTECRRG FSVTVESASS NYATTVQVKE VNRMHISPNN RNAIHPGDRI LEINGTPVRT LRVEEVEDAI KQTSQTLQLL IEHDPVPQRL DQSGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 293 (±0.1) K, pH 7.0 (±0.05), Details 0.47mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]	protein	0.47 mM
2	d-Tris-HCl	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: 0.0 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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LACS Plot; CB

Referencing offset: 0.0 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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LACS Plot; HA

Referencing offset: -0.06 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: 0.44 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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Protein Blocks Logo

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

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Release date

2011-08-02

Citation

Solution structure of the PDZ domain from mouse LIM domain kinase
Hayashi, F., Suetake, T., Yokoyama, S.

Related entities 1. LIM domain kinase 2, : 1 : 40 entities Detail

Interaction partners 1. LIM domain kinase 2, : 1 interactors Detail

Experiments performed 2 experiments Detail