BMRB: 11126

Solution structure of the second CH domain of human spectrin beta chain, brain 2

Authors

Tomizawa, T., Kigawa, T., Koshiba, S., Inoue, M., Yokoyama, S.

Assembly

Spectrin beta chain, brain 2

Entity

1. Spectrin beta chain, brain 2 (polymer, Thiol state: all free), 127 monomers, 14051.64 Da Detail

GSSGSSGAKD ALLLWCQMKT AGYPNVNVHN FTTSWRDGLA FNAIVHKHRP DLLDFESLKK CNAHYNLQNA FNLAEKELGL TKLLDPEDVN VDQPDEKSII TYVATYYHYF SKMKALAVEG KSGPSSG

Formula weight

14051.64 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, restrainted molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.1 %, Completeness: 94.3 %, Completeness (bb): 90.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.3 % (1381 of 1464)	94.3 % (713 of 756)	95.3 % (545 of 572)	90.4 % (123 of 136)
Backbone	90.8 % (683 of 752)	88.8 % (229 of 258)	92.7 % (345 of 372)	89.3 % (109 of 122)
Sidechain	97.7 % (811 of 830)	97.2 % (484 of 498)	98.4 % (313 of 318)	100.0 % (14 of 14)
Aromatic	100.0 % (142 of 142)	100.0 % (71 of 71)	100.0 % (69 of 69)	100.0 % (2 of 2)
Methyl	100.0 % (130 of 130)	100.0 % (65 of 65)	100.0 % (65 of 65)

1. CH domain

GSSGSSGAKD ALLLWCQMKT AGYPNVNVHN FTTSWRDGLA FNAIVHKHRP DLLDFESLKK CNAHYNLQNA FNLAEKELGL TKLLDPEDVN VDQPDEKSII TYVATYYHYF SKMKALAVEG KSGPSSG

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Sample

Solvent system 90% H2O, 10% D2O, Pressure 1 (±0.001) atm, Temperature 296 (±0.1) K, pH 7.0 (±0.05), Details 1.20mM CH domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CH domain	[U-13C; U-15N]	protein	1.20 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: 2.28 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; CB

Referencing offset: 2.28 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; HA

Referencing offset: 0.14 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: 2.49 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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Protein Blocks Logo

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

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Release date

2011-03-31

Citation

Solution structure of the second CH domain of human spectrin beta chain, brain 2
Tomizawa, T., Kigawa, T., Koshiba, S., Inoue, M., Yokoyama, S.

Related entities 1. Spectrin beta chain, brain 2, : 1 : 6 : 224 entities Detail

Interaction partners 1. Spectrin beta chain, brain 2, : 28 interactors Detail

Experiments performed 2 experiments Detail