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BMRB: 16135

2KMT

Sequence-specific 1H, 15N, and 13C resonance assignments of the 23.7 kDa homodimeric toxin CcdB from Vibrio fischeri.

Authors

Respondek, M., Buts, L., Loris, R., Zangger, K.

Assembly

CcdB homodimer

Entity

1. CcdB homodimer (polymer, Thiol state: all free), 105 monomers, 11868.63 × 2 Da Detail

MSQFTLYKNK DKSSAKTYPY FVDVQSDLLD NLNTRLVIPL TPIELLDKKA PSHLCPTIHI DEGDFIMLTQ QMTSVPVKIL SEPVNELSTF RNEIIAAIDF LITGI

Total weight

23737.26 Da

Max. entity weight

11868.63 Da

Source organism

Aliivibrio fischeri

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 84.7 %, Completeness (bb): 96.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.7 % (1066 of 1259)	80.0 % (521 of 651)	89.2 % (447 of 501)	91.6 % (98 of 107)
Backbone	96.6 % (595 of 616)	94.6 % (194 of 205)	98.1 % (307 of 313)	95.9 % (94 of 98)
Sidechain	76.5 % (571 of 746)	73.3 % (327 of 446)	82.5 % (240 of 291)	44.4 % (4 of 9)
Aromatic	43.9 % (36 of 82)	43.9 % (18 of 41)	43.9 % (18 of 41)
Methyl	87.7 % (128 of 146)	84.9 % (62 of 73)	90.4 % (66 of 73)

1. CcdB

MSQFTLYKNK DKSSAKTYPY FVDVQSDLLD NLNTRLVIPL TPIELLDKKA PSHLCPTIHI DEGDFIMLTQ QMTSVPVKIL SEPVNELSTF RNEIIAAIDF LITGI

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	CcdB	[U-100% 13C; U-100% 15N]	4-6 mg
2	sodium phosphate	natural abundance	50 mM
3	sodium azide	natural abundance	0.02 %
4	D2O	natural abundance	10 %
5	H2O	natural abundance	90 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	internal	indirect	0.0
¹H	water	protons	4.76 ppm	internal	direct	1.0
¹⁵N	water	protons	2863.8 Hz	internal	indirect	0.0

Referencing offset: 0.16 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	internal	indirect	0.0
¹H	water	protons	4.76 ppm	internal	direct	1.0
¹⁵N	water	protons	2863.8 Hz	internal	indirect	0.0

Referencing offset: 0.16 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	internal	indirect	0.0
¹H	water	protons	4.76 ppm	internal	direct	1.0
¹⁵N	water	protons	2863.8 Hz	internal	indirect	0.0

Referencing offset: -0.12 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	internal	indirect	0.0
¹H	water	protons	4.76 ppm	internal	direct	1.0
¹⁵N	water	protons	2863.8 Hz	internal	indirect	0.0

Referencing offset: 0.32 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2009-04-13

Citation

Sequence-specific 1H, 15N and 13C resonance assignments of the 23.7-kDa homodimeric toxin CcdB from Vibrio fischeri
Respondek, M., Buts, L., De Jonge, N., Haesaerts, S., Loris, R., Van Melderen, L., Wyns, L., Zangger, K.
Biomol. NMR Assign. (2009), 3, 145-147, PubMed 19636967 , DOI 10.1007/s12104-009-9161-9 , Abstract

Related entities 1. CcdB homodimer, : 1 : 5 : 13 entities Detail

Experiments performed 10 experiments Detail

1 3D HNCA