BMRB: 10271

Solution structures of the fn3 domain of human collagen alpha-1(XX) chain

Authors

Sato, M., Tochio, N., Koshiba, S., Watanabe, S., Harada, T., Kigawa, T., Yokoyama, S.

Assembly

Collagen alpha-1(XX) chain

Entity

1. Collagen alpha-1(XX) chain (polymer, Thiol state: all free), 108 monomers, 10833.81 Da Detail

GSSGSSGLAP PRHLGFSDVS HDAARVFWEG APRPVRLVRV TYVSSEGGHS GQTEAPGNAT SAMLGPLSSS TTYTVRVTCL YPGGGSSTLT GRVTTKKAPS PSSGPSSG

Formula weight

10833.81 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.7 %, Completeness: 91.0 %, Completeness (bb): 89.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	91.0 % (1003 of 1102)	90.4 % (510 of 564)	92.4 % (404 of 437)	88.1 % (89 of 101)
Backbone	89.0 % (559 of 628)	88.7 % (197 of 222)	89.6 % (276 of 308)	87.8 % (86 of 98)
Sidechain	93.5 % (529 of 566)	91.5 % (313 of 342)	96.4 % (213 of 221)	100.0 % (3 of 3)
Aromatic	97.1 % (66 of 68)	94.1 % (32 of 34)	100.0 % (33 of 33)	100.0 % (1 of 1)
Methyl	100.0 % (102 of 102)	100.0 % (51 of 51)	100.0 % (51 of 51)

1. Fibronectin type III domain

GSSGSSGLAP PRHLGFSDVS HDAARVFWEG APRPVRLVRV TYVSSEGGHS GQTEAPGNAT SAMLGPLSSS TTYTVRVTCL YPGGGSSTLT GRVTTKKAPS PSSGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 296 (±0.1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	fn3 domain	[U-13C; U-15N]	protein	1 mM
2	d-Tris HCl		buffer	20 mM
3	NaCl		salt	100 mM
4	d-DTT		salt	1 mM
5	NaN3		salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: 0.11 ppm, Outliers: 3 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: 0.11 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: -0.11 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: 0.51 ppm, Outliers: 6 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: 2EE3, Strand ID: A Detail

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Release date

2009-12-13

Citation

Solution structures of the fn3 domain of human collagen alpha-1(XX) chain
Sato, M., Tochio, N., Koshiba, S., Watanabe, S., Harada, T., Kigawa, T., Yokoyama, S.

Related entities 1. Collagen alpha-1(XX) chain, : 1 : 2 : 175 entities Detail

Interaction partners 1. Collagen alpha-1(XX) chain, : 3 interactors Detail

Experiments performed 2 experiments Detail