BMRB: 7228

Solution NMR structure of UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101 (CASP Target)

Authors

Liu, G., Atreya, H., Xu, D., Sukumaran, D.K., Chen, C.X., Janjua, H., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.

Assembly

UPF0107 protein AF0055

Entity

1. UPF0107 protein AF0055 (polymer, Thiol state: all free), 141 monomers, 15353.52 Da Detail

MVKFACRAIT RGRAEGEALV TKEYISFLGG IDKETGIVKE DCEIKGESVA GRILVFPGGK GSTVGSYVLL NLRKNGVAPK AIINKKTETI IAVGAAMAEI PLVEVRDEKF FEAVKTGDRV VVNADEGYVE LIELEHHHHH H

Formula weight

15353.52 Da

Source organism

Archaeoglobus fulgidus

Exptl. method

NMR

Refine. method

simulated annealing molecular dynamics torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.5 %, Completeness: 87.1 %, Completeness (bb): 82.9 % Detail

Download

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.1 % (1396 of 1603)	94.7 % (782 of 826)	75.4 % (479 of 635)	95.1 % (135 of 142)
Backbone	82.9 % (696 of 840)	95.6 % (281 of 294)	69.6 % (284 of 408)	94.9 % (131 of 138)
Sidechain	92.2 % (820 of 889)	94.2 % (501 of 532)	89.2 % (315 of 353)	100.0 % (4 of 4)
Aromatic	59.2 % (58 of 98)	75.5 % (37 of 49)	42.9 % (21 of 49)
Methyl	100.0 % (188 of 188)	100.0 % (94 of 94)	100.0 % (94 of 94)

1. UPF0107 protein AF0055

MVKFACRAIT RGRAEGEALV TKEYISFLGG IDKETGIVKE DCEIKGESVA GRILVFPGGK GSTVGSYVLL NLRKNGVAPK AIINKKTETI IAVGAAMAEI PLVEVRDEKF FEAVKTGDRV VVNADEGYVE LIELEHHHHH H

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	UPF0107 protein AF0055	[U-15N; U-13C]		1.2 mM
2	CaCl2			5.0 ~ 5.5 mM
3	NaCl			100 mM
4	NH4OAc			20 mM
5	DTT			10 mM
6	NaN3			0.02 %
7	D2O			5 %
8	H2O			95 %

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LACS Plot; CA

Referencing offset: 0.21 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.21 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.04 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	internal	direct	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: 2HI6, Strand ID: A Detail

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Release date

2010-03-03

Citation

Solution NMR structure of UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101 (CASP Target)
Liu, G., Atreya, H., Xu, D., Sukumaran, D.K., Chen, C.X., Janjua, H., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.

Related entities 1. UPF0107 protein AF0055, : 1 : 19 entities Detail

Experiments performed 5 experiments Detail