BMRB: 10262

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

Authors

Sato, M., Saito, K., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Assembly

Collagen alpha-1(XX) chain

Entity

1. Collagen alpha-1(XX) chain (polymer, Thiol state: all free), 104 monomers, 10840.87 Da Detail

GSSGSSGPLP PPRALTLAAV TPRTVHLTWQ PSAGATHYLV RCSPASPKGE EEEREVQVGR PEVLLDGLEP GRDYEVSVQS LRGPEGSEAR GIRARTPTSG PSSG

Formula weight

10840.87 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.2 %, Completeness: 92.0 %, Completeness (bb): 91.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	92.0 % (1016 of 1104)	89.8 % (519 of 578)	94.9 % (409 of 431)	92.6 % (88 of 95)
Backbone	91.3 % (546 of 598)	88.9 % (185 of 208)	92.6 % (277 of 299)	92.3 % (84 of 91)
Sidechain	93.3 % (557 of 597)	90.3 % (334 of 370)	98.2 % (219 of 223)	100.0 % (4 of 4)
Aromatic	97.2 % (35 of 36)	94.4 % (17 of 18)	100.0 % (17 of 17)	100.0 % (1 of 1)
Methyl	99.0 % (101 of 102)	98.0 % (50 of 51)	100.0 % (51 of 51)

1. Fibronectin type III domain

GSSGSSGPLP PPRALTLAAV TPRTVHLTWQ PSAGATHYLV RCSPASPKGE EEEREVQVGR PEVLLDGLEP GRDYEVSVQS LRGPEGSEAR GIRARTPTSG PSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±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: 0.14 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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LACS Plot; CB

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; HA

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; CO

Referencing offset: 0.54 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: 2DKM, Strand ID: A Detail

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Release date

2009-11-23

Citation

Solution structures of the fn3 domain of human collagen alpha-1(XX) chain
Sato, M., Saito, K., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Collagen alpha-1(XX) chain, : 1 : 243 entities Detail

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

Experiments performed 2 experiments Detail