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BMRB: 25062

2MR6

Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR462

Authors

Xu, X., Nivon, L., Federizon, J.F., Maglaqui, M., Janjua, H., Mao, L., Xiao, R., Kornhaber, G., Baker, D., Montelione, G.T., Szyperski, T.

Assembly

OR462

Entity

1. OR462 (polymer, Thiol state: not present), 136 monomers, 15675.60 Da Detail

MGVVILVLTG DERIAEELRK EVQKHDPNVK TVPTKDKEKV KEEIEKARKQ GRPIVVFVRG GDDERAKDIA EYAQKEGLRV IVIIVSQDEE ALRKGYEDKK KKGYDVYTSR NEDEAKKKLK EALEKSGSLE HHHHHH

Formula weight

15675.6 Da

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 95.7 %, Completeness (bb): 96.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.7 % (1560 of 1630)	95.3 % (824 of 865)	96.5 % (604 of 626)	95.0 % (132 of 139)
Backbone	96.3 % (780 of 810)	96.0 % (267 of 278)	97.0 % (387 of 399)	94.7 % (126 of 133)
Sidechain	95.4 % (903 of 947)	94.9 % (557 of 587)	96.0 % (340 of 354)	100.0 % (6 of 6)
Aromatic	77.1 % (54 of 70)	77.1 % (27 of 35)	77.1 % (27 of 35)
Methyl	100.0 % (144 of 144)	100.0 % (72 of 72)	100.0 % (72 of 72)

1. OR462

MGVVILVLTG DERIAEELRK EVQKHDPNVK TVPTKDKEKV KEEIEKARKQ GRPIVVFVRG GDDERAKDIA EYAQKEGLRV IVIIVSQDEE ALRKGYEDKK KKGYDVYTSR NEDEAKKKLK EALEKSGSLE HHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.2 mM OR462, 90% H2O/10% D2O,pH7.5

#	Name	Isotope labeling	Type	Concentration
1	OR462	[U-13C; U-15N]		1.2 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 1.2 mM OR462, 90% H2O/10% D2O,pH7.5

#	Name	Isotope labeling	Type	Concentration
2	OR462	[U-13C; U-15N]		1.2 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MR6, Strand ID: A Detail

Release date

2014-07-24

Related entities 1. OR462, : 1 : 12 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC