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BMRB: 15061

2JMZ

NMR assignment of a KlbA intein precursor from Methanococcus jannaschii

Authors

Johnson, M.A., Maurice, S.W., Francine, P.B., Kurt, W.

Assembly

intein precursor polypeptide

Entity

1. intein precursor polypeptide (polymer, Thiol state: not present), 186 monomers, 21405.94 Da Detail

MNTGHDGALA YDEPIYLSDG NIINIGEFVD KFFKKYKNSI KKEDNGFGWI DIGNENIYIK SFNKLSLIIE DKRILRVWRK KYSGKLIKIT TKNRREITLT HDHPVYISKT GEVLEINAEM VKVGDYIYIP KNNTINLDEV IKVETVDYNG HIYDLTVEDN HTYIAGKNEG FAVSASSGTL HHHHHH

Formula weight

21405.94 Da

Source organism

Methanocaldococcus jannaschii

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.3 %, Completeness: 92.9 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.9 % (2075 of 2233)	94.6 % (1095 of 1157)	89.9 % (787 of 875)	96.0 % (193 of 201)
Backbone	96.0 % (1066 of 1110)	96.6 % (370 of 383)	95.4 % (519 of 544)	96.7 % (177 of 183)
Sidechain	90.7 % (1175 of 1295)	93.7 % (725 of 774)	86.3 % (434 of 503)	88.9 % (16 of 18)
Aromatic	60.6 % (131 of 216)	75.0 % (81 of 108)	45.3 % (48 of 106)	100.0 % (2 of 2)
Methyl	100.0 % (214 of 214)	100.0 % (107 of 107)	100.0 % (107 of 107)

1. intein precursor polypeptide

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3

#	Name	Isotope labeling	Concentration
1	intein precursor polypeptide	[U-98% 15N]	2 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	2 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.3

#	Name	Isotope labeling	Concentration
5	intein precursor polypeptide	[U-98% 13C; U-98% 15N]	2 mM
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	100 mM
8	sodium azide	natural abundance	2 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: 0.0 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: 0.0 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: -0.1 ppm, Outliers: 1 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: 0.56 ppm, Outliers: 2 Detail

Release date

2007-06-25

Citation

NMR assignment of a KlbA intein precursor from Methanococcus jannaschii
Johnson, M.A., Southworth, M.W., Perler, F.B., Wuthrich, K.
Biomol. NMR Assign. (2007), 1, 19-21, PubMed 19636816 , DOI 10.1007/s12104-007-9009-0 , Abstract

Related entities 1. intein precursor polypeptide, : 1 : 1 : 2 : 11 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC