BMRB: 11125

Solution structure of the 6th fibronectin type III domain from human fibronectin type III domain containing protein 3

Authors

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

Assembly

Fibronectin type-III domain containing protein 3a

Entity

1. Fibronectin type-III domain containing protein 3a (polymer, Thiol state: all free), 106 monomers, 10898.05 Da Detail

GSSGSSGPDQ CKPPQVTCRS ATCAQVNWEV PLSNGTDVTE YRLEWGGVEG SMQICYCGPG LSYEIKGLSP ATTYYCRVQA LSVVGAGPFS EVVACVTPPS SGPSSG

Formula weight

10898.05 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: 94.3 %, Completeness: 93.4 %, Completeness (bb): 90.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.4 % (1035 of 1108)	94.0 % (535 of 569)	93.5 % (406 of 434)	89.5 % (94 of 105)
Backbone	90.3 % (556 of 616)	89.8 % (194 of 216)	91.1 % (277 of 304)	88.5 % (85 of 96)
Sidechain	95.0 % (555 of 584)	95.2 % (336 of 353)	94.6 % (210 of 222)	100.0 % (9 of 9)
Aromatic	94.6 % (70 of 74)	100.0 % (37 of 37)	88.6 % (31 of 35)	100.0 % (2 of 2)
Methyl	95.9 % (94 of 98)	95.9 % (47 of 49)	95.9 % (47 of 49)

1. fibronectin type III (fn3) domain

GSSGSSGPDQ CKPPQVTCRS ATCAQVNWEV PLSNGTDVTE YRLEWGGVEG SMQICYCGPG LSYEIKGLSP ATTYYCRVQA LSVVGAGPFS EVVACVTPPS SGPSSG

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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 0.66mM fn3 domain {U-15N,13C;} 20mM {d-Tris-HCl;} 200mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	fn3 domain	[U-13C; U-15N]	protein	0.66 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: 2.14 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; CB

Referencing offset: 2.14 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: 0.07 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: 3.03 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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Protein Blocks Logo

Calculated from 20 models in PDB: 1X4X, Strand ID: A Detail

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Release date

2011-03-31

Citation

Solution structure of the 6th fibronectin type III domain from human fibronectin type III domain containing protein 3
Tomizawa, T., Kigawa, T., Koshiba, S., Inoue, M., Yokoyama, S.

Related entities 1. Fibronectin type-III domain containing protein 3a, : 1 : 2 : 242 entities Detail

Interaction partners 1. Fibronectin type-III domain containing protein 3a, : 27 interactors Detail

Experiments performed 2 experiments Detail