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BMRB: 7285

2J4N

1H, 13C and 15N assignments for a double dockerin domain

Authors

Tunnicliffe, R.B., Williamson, M.P., Higgins, L.D.

Assembly

double dockerin

Entity

1. double dockerin (polymer, Thiol state: all disulfide bound), 96 monomers, 10480.07 Da Detail

MACWAQSQGY NCCNNPSSTK VEYTDASGQW GVQNGQWCGI DYSYGQNQGN ESCTGNGSYP CCNTCQATYT DGDGDWAFEN GNWCGIKNSC KQQPQN

Formula weight

10480.07 Da

Entity Connection

disulfide 5 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS12:SG
2	disulfide	sing	1:CYS13:SG	1:CYS38:SG
3	disulfide	sing	1:CYS53:SG	1:CYS61:SG
4	disulfide	sing	1:CYS62:SG	1:CYS84:SG
5	disulfide	sing	1:CYS65:SG	1:CYS90:SG

Source organism

Piromyces sp. 'equi'

Exptl. method

NMR

Refine. method

CNS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.0 %, Completeness (bb): 100.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	99.0 % (1024 of 1034)	98.9 % (531 of 537)	99.7 % (375 of 376)	97.5 % (118 of 121)
Backbone	100.0 % (570 of 570)	100.0 % (202 of 202)	100.0 % (275 of 275)	100.0 % (93 of 93)
Sidechain	98.2 % (537 of 547)	98.2 % (329 of 335)	99.5 % (183 of 184)	89.3 % (25 of 28)
Aromatic	99.2 % (117 of 118)	100.0 % (59 of 59)	98.1 % (53 of 54)	100.0 % (5 of 5)
Methyl	100.0 % (38 of 38)	100.0 % (19 of 19)	100.0 % (19 of 19)

1. double dockerin

MACWAQSQGY NCCNNPSSTK VEYTDASGQW GVQNGQWCGI DYSYGQNQGN ESCTGNGSYP CCNTCQATYT DGDGDWAFEN GNWCGIKNSC KQQPQN

Show sample condition

Sample

Temperature 298 (±0.5) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	double dockerin	[U-95% 13C; U-90% 15N]	protein	0.8 mM
2	sodium phosphate		buffer	50 mM

LACS Plot; CA

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

Referencing offset: -0.23 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.23 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.0 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.33 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 6 models in PDB: 2J4N, Strand ID: A Detail

Release date

2007-10-08

Citation

Characterization of a double dockerin from the cellulosome of the anaerobic fungus Piromyces equi
Nagy, T., Tunnicliffe, R.B., Higgins, L.D., Walters, C., Gilbert, H.J., Williamson, M.P.
J. Mol. Biol. (2007), 373, 612-622, PubMed 17869267 , DOI 10.1016/j.jmb.2007.08.007 , Abstract

Related entities 1. double dockerin, : 1 : 1 : 7 entities Detail

Experiments performed 10 experiments Detail

1 2D 15N-1H