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BMRB: 16994

2KZ2

Calmodulin, C-terminal domain, F92E mutant

Authors

Korendovych, I., Kulp, D., Wu, Y., Cheng, H., Roder, H., DeGrado, W.

Assembly

C-Terminus Calmodulin F92E

Entity

1. cCaMF92E (polymer, Thiol state: not present), 94 monomers, 10726.45 Da Detail

SGSHHHHHHG SSGENLYFQS LMKDTDSEEE IREAFRVEDK DGNGYISAAE LRHVMTNLGE KLTDEEVDEM IREADIDGDG QVNYEEFVQM MTAK

2. CA (non-polymer), 40.078 × 2 Da

Total weight

10806.606 Da

Max. entity weight

10726.45 Da

Source organism

Gallus gallus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 91.5 %, Completeness: 81.4 %, Completeness (bb): 76.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.4 % (852 of 1047)	89.5 % (486 of 543)	67.7 % (273 of 403)	92.1 % (93 of 101)
Backbone	76.2 % (430 of 564)	89.3 % (175 of 196)	61.7 % (169 of 274)	91.5 % (86 of 94)
Sidechain	87.9 % (500 of 569)	89.6 % (311 of 347)	84.7 % (182 of 215)	100.0 % (7 of 7)
Aromatic	56.1 % (46 of 82)	70.7 % (29 of 41)	41.5 % (17 of 41)
Methyl	100.0 % (74 of 74)	100.0 % (37 of 37)	100.0 % (37 of 37)

1. cCaMF92E

SGSHHHHHHG SSGENLYFQS LMKDTDSEEE IREAFRVEDK DGNGYISAAE LRHVMTNLGE KLTDEEVDEM IREADIDGDG QVNYEEFVQM MTAK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	cCaMF92E	[U-100% 13C; U-100% 15N]	0.8 mM
2	CaCl2	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	HEPES	natural abundance	20 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.9

#	Name	Isotope labeling	Concentration
7	cCaMF92E	[U-100% 13C; U-100% 15N]	0.4 mM
8	CaCl2	natural abundance	20 mM
9	NaCl	natural abundance	100 mM
10	HEPES	natural abundance	20 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

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: 0.18 ppm, Outliers: 2 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: 0.18 ppm, Outliers: 2 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: 0.03 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KZ2, Strand ID: A Detail

Release date

2011-05-31

Citation

Design of a switchable eliminase
Korendovych, I.V., Kulp, D.W., Wu, Y., Cheng, H., Roder, H., Degrado, W.F.
Proc. Natl. Acad. Sci. U. S. A. (2011), 108, 6823-6827, PubMed 21482808 , DOI 10.1073/pnas.1018191108 , Abstract

Related entities 1. cCaMF92E, : 1 : 17 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC