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BMRB: 16684

2KT6

Structural homology between the C-terminal domain of the PapC usher and its plug

Authors

Ford, B., Rego, A., Ragan, T.J., Pinkner, J., Dodson, K., Driscoll, P.C., Hultgren, S., Waksman, G.

Assembly

MS1

Entity

1. MS1 (polymer, Thiol state: all free), 95 monomers, 10261.59 Da Detail

VLKGKRLFAI LRLADGSQPP FGASVTSEKG RELGMVADEG LAWLSGVTPG ETLSVNWDGK IQCQVNVPET AISDQQLLLP CTPQKSAWSH PQFEK

Formula weight

10261.59 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 92.6 %, Completeness: 76.4 %, Completeness (bb): 91.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.4 % (832 of 1089)	75.1 % (426 of 567)	74.6 % (315 of 422)	91.0 % (91 of 100)
Backbone	91.2 % (507 of 556)	90.6 % (174 of 192)	91.7 % (253 of 276)	90.9 % (80 of 88)
Sidechain	65.1 % (403 of 619)	67.2 % (252 of 375)	60.3 % (140 of 232)	91.7 % (11 of 12)
Aromatic	35.7 % (25 of 70)	34.3 % (12 of 35)	31.3 % (10 of 32)	100.0 % (3 of 3)
Methyl	63.9 % (69 of 108)	68.5 % (37 of 54)	59.3 % (32 of 54)

1. CTD Actual

VLKGKRLFAI LRLADGSQPP FGASVTSEKG RELGMVADEG LAWLSGVTPG ETLSVNWDGK IQCQVNVPET AISDQQLLLP CTPQKSAWSH PQFEK

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	20 mM
3	CTD_Actual	[U-15N]	300-500 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
4	MES	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	CTD_Actual	[U-13C; U-15N]	300-500 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbons	-0.1 ppm	external	direct	0.2514495
¹H	TSP	methyl protons	-0.01 ppm	external	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.1013291

Referencing offset: -0.25 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbons	-0.1 ppm	external	direct	0.2514495
¹H	TSP	methyl protons	-0.01 ppm	external	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.1013291

Referencing offset: -0.25 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbons	-0.1 ppm	external	direct	0.2514495
¹H	TSP	methyl protons	-0.01 ppm	external	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.1013291

Referencing offset: -0.09 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbons	-0.1 ppm	external	direct	0.2514495
¹H	TSP	methyl protons	-0.01 ppm	external	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2KT6, Strand ID: A Detail

Release date

2010-01-18

Citation

Structural homology between the C-terminal domain of the PapC usher and its plug
Ford, B., Rego, A., Ragan, T.J., Pinkner, J., Dodson, K., Driscoll, P.C., Hultgren, S., Waksman, G.
J. Bacteriol. (2010), 192, 1824-1831, PubMed 20118254 , DOI 10.1128/JB.01677-09 , Abstract

Related entities 1. MS1, : 1 : 6 : 15 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC