BMRB: 11204

Solution structure of the second PDZ domain of harmonin protein

Authors

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

Assembly

Harmonin

Entity

1. Harmonin (polymer, Thiol state: all free), 114 monomers, 11683.99 Da Detail

GSSGSSGSPG NRENKEKKVF ISLVGSRGLG CSISSGPIQK PGIFISHVKP GSLSAEVGLE IGDQIVEVNG VDFSNLDHKE AVNVLKSSRS LTISIVAAAG RELFMTDRSG PSSG

Formula weight

11683.99 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

Torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.5 %, Completeness: 95.9 %, Completeness (bb): 95.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	95.9 % (1178 of 1228)	95.8 % (610 of 637)	96.6 % (459 of 475)	94.0 % (109 of 116)
Backbone	95.4 % (643 of 674)	95.4 % (228 of 239)	96.0 % (313 of 326)	93.6 % (102 of 109)
Sidechain	96.5 % (629 of 652)	96.0 % (382 of 398)	97.2 % (240 of 247)	100.0 % (7 of 7)
Aromatic	100.0 % (48 of 48)	100.0 % (24 of 24)	100.0 % (24 of 24)
Methyl	96.7 % (118 of 122)	96.7 % (59 of 61)	96.7 % (59 of 61)

1. PDZ domain

GSSGSSGSPG NRENKEKKVF ISLVGSRGLG CSISSGPIQK PGIFISHVKP GSLSAEVGLE IGDQIVEVNG VDFSNLDHKE AVNVLKSSRS LTISIVAAAG RELFMTDRSG PSSG

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 1.13mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]	protein	1.13 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: -0.06 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; CB

Referencing offset: -0.06 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: -0.05 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; CO

Referencing offset: 0.2 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: 1X5N, Strand ID: A Detail

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Release date

2011-07-20

Citation

Solution structure of the second PDZ domain of harmonin protein
Qin, X., Hayashi, F., Yokoyama, S.

Related entities 1. Harmonin, : 1 : 4 : 45 entities Detail

Interaction partners 1. Harmonin, : 16 interactors Detail

Experiments performed 2 experiments Detail