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BMRB: 12024

Resonance assignments of a cellulosomal double-dockerin from Clostridium thermocellum

Authors

Chen, C., Yang, H., Cui, Q., Feng, Y.

Assembly

cellulosomal double-dockerin

Entity

1. cellulosomal double-dockerin (polymer, Thiol state: not present), 151 monomers, 16471.10 Da Detail

MSVKIGDIDG NGEISSIDYA ILKSHLINSN LTFKQLAAAD VDGNGYVNSI DLAILQMYLL GKGGTSDIGK NRIYTYGDID NNGIVDENDY ILICNHINGT GQLSDASLFA ADADGNNVID QTDRILIEKY ITGRITHLPV GNQLEHHHHH H

Formula weight

16471.1 Da

Source organism

Acetivibrio thermocellus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 93.9 %, Completeness (bb): 95.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.9 % (1579 of 1681)	93.6 % (804 of 859)	93.9 % (613 of 653)	95.9 % (162 of 169)
Backbone	95.9 % (867 of 904)	95.3 % (302 of 317)	96.3 % (421 of 437)	96.0 % (144 of 150)
Sidechain	92.3 % (842 of 912)	92.6 % (502 of 542)	91.7 % (322 of 351)	94.7 % (18 of 19)
Aromatic	64.3 % (72 of 112)	64.3 % (36 of 56)	64.3 % (36 of 56)
Methyl	98.4 % (189 of 192)	97.9 % (94 of 96)	99.0 % (95 of 96)

1. dDoc 0689

MSVKIGDIDG NGEISSIDYA ILKSHLINSN LTFKQLAAAD VDGNGYVNSI DLAILQMYLL GKGGTSDIGK NRIYTYGDID NNGIVDENDY ILICNHINGT GQLSDASLFA ADADGNNVID QTDRILIEKY ITGRITHLPV GNQLEHHHHH H

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.9

#	Name	Isotope labeling	Type	Concentration
1	dDoc_0689	[U-13C; U-15N]	proteni	0.6 (±0.1) mM
2	sodium acetate	natural abundance	buffer	50 mM
3	potassium chloride	natural abundance	salt	50 mM
4	CaCl2	natural abundance	salt	10 mM
5	DTT	natural abundance		3 mM
6	DSS	natural abundance		0.02 % w/v
7	protease inhibitor cocktail (Roche)	natural abundance		0.4 tablet/100mL
8	H2O	natural abundance	solvent	90 %
9	D2O	[U-2H]	solvent	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: 0.07 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: 0.07 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: 0.06 ppm, Outliers: 2 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: -0.07 ppm, Outliers: 1 Detail

Release date

2018-09-27

Citation

Resonance assignments of a cellulosomal double-dockerin from Clostridium thermocellum
Chen, C., Yang, H., Xuan, J., Cui, Q., Feng, Y.
Biomol. NMR Assign. (2018), PubMed 30377946 , DOI 10.1007/s12104-018-9859-7 , Abstract

Related entities 1. cellulosomal double-dockerin, : 5 entities Detail

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC