BMRB: 10100

Solution Structure of The Third PDZ Domain of Human Atrophin-1 Interacting Protein 1 (KIAA0705 Protein)

Authors

Miyamoto, K., Kigawa, T., Koshiba, S., Inoue, M., Yokoyama, S.

Assembly

Membrane Associated Guanylate Kinase Inverted-2 (MAGI-2)

Entity

1. Membrane Associated Guanylate Kinase Inverted-2 (MAGI-2) (polymer, Thiol state: all free), 103 monomers, 10935.25 Da Detail

GSSGSSGYKE LDVHLRRMES GFGFRILGGD EPGQPILIGA VIAMGSADRD GRLHPGDELV YVDGIPVAGK THRYVIDLMH HAARNGQVNL TVRRKVLSGP SSG

Formula weight

10935.25 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

torsion angle dynamics, restrainted molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.1 %, Completeness: 91.5 %, Completeness (bb): 89.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	91.5 % (1027 of 1122)	91.2 % (531 of 582)	92.2 % (404 of 438)	90.2 % (92 of 102)
Backbone	89.0 % (541 of 608)	88.5 % (193 of 218)	89.0 % (260 of 292)	89.8 % (88 of 98)
Sidechain	94.7 % (568 of 600)	92.9 % (338 of 364)	97.4 % (226 of 232)	100.0 % (4 of 4)
Aromatic	93.8 % (60 of 64)	93.8 % (30 of 32)	93.8 % (30 of 32)
Methyl	97.3 % (109 of 112)	94.6 % (53 of 56)	100.0 % (56 of 56)

1. PDZ Domain

GSSGSSGYKE LDVHLRRMES GFGFRILGGD EPGQPILIGA VIAMGSADRD GRLHPGDELV YVDGIPVAGK THRYVIDLMH HAARNGQVNL TVRRKVLSGP SSG

Show sample condition

Sample

Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1.3 mM
2	Tris-HCl		buffer	20 mM
3	NaCl		salt	100 mM
4	d-DTT		salt	1 mM
5	NaN3			0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: -0.29 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: -0.29 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: -0.12 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; CO

Referencing offset: -0.29 ppm, Outliers: 1 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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Protein Blocks Logo

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

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Release date

2008-08-14

Citation

Solution Structure of The Third PDZ Domain of Human Atrophin-1 Interacting Protein 1 (KIAA0705 Protein)
Miyamoto, K., Kigawa, T., Koshiba, S., Inoue, M., Yokoyama, S.

Related entities 1. Membrane Associated Guanylate Kinase Inverted-2 (MAGI-2), : 1 : 6 : 302 entities Detail

Interaction partners 1. Membrane Associated Guanylate Kinase Inverted-2 (MAGI-2), : 8 interactors Detail

Experiments performed 2 experiments Detail