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BMRB: 16563

2KPP

Solution NMR structure of Lin0431 protein from Listeria innocua. Northeast Structural Genomics Consortium Target LkR112

Authors

Tang, Y., Montelione, G.T., Ciccosanti, C., Lee, D., Janjua, H., Everett, J.K., Swapna, G., Acton, T.B., Rose, B., Xiao, R.

Assembly

Lin0431

Entity

1. Lin0431 (polymer, Thiol state: all free), 114 monomers, 12784.34 Da Detail

MKNTGDEVVA IISQNGKVIR EIPLTGHKGN EQFTIKGKGA QYNLMEVDGE RIRIKEDNSP DQVGVKMGWK SKAGDTIVCL PHKVFVEIKS TQKDSKDPDT DLIVPNLEHH HHHH

Formula weight

12784.34 Da

Source organism

Listeria innocua

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.6 %, Completeness: 92.9 %, Completeness (bb): 93.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.9 % (1238 of 1332)	92.8 % (649 of 699)	92.8 % (475 of 512)	94.2 % (114 of 121)
Backbone	93.3 % (629 of 674)	93.1 % (217 of 233)	93.4 % (310 of 332)	93.6 % (102 of 109)
Sidechain	92.9 % (708 of 762)	92.7 % (432 of 466)	93.0 % (264 of 284)	100.0 % (12 of 12)
Aromatic	66.7 % (48 of 72)	66.7 % (24 of 36)	65.7 % (23 of 35)	100.0 % (1 of 1)
Methyl	99.2 % (117 of 118)	98.3 % (58 of 59)	100.0 % (59 of 59)

1. LkR112

MKNTGDEVVA IISQNGKVIR EIPLTGHKGN EQFTIKGKGA QYNLMEVDGE RIRIKEDNSP DQVGVKMGWK SKAGDTIVCL PHKVFVEIKS TQKDSKDPDT DLIVPNLEHH HHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	LkR112	[U-100% 13C; U-100% 15N]	0.851 mM
2	MES	natural abundance	20 mM
3	NaCl	natural abundance	200 mM
4	CaCl2	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	NaN3	natural abundance	0.02 %
7	DSS	natural abundance	50 uM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	LkR112	[U-5% 13C; U-100% 15N]	0.887 mM
11	MES	natural abundance	20 mM
12	NaCl	natural abundance	200 mM
13	CaCl2	natural abundance	5 mM
14	DTT	natural abundance	10 mM
15	NaN3	natural abundance	0.02 %
16	DSS	natural abundance	50 uM
17	H2O	natural abundance	95 %
18	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.05 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.05 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.06 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.42 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2009-11-22

Citation

Solution NMR structure of Lin0431 protein from Listeria innocua. Northeast Structural Genomics Consortium Target LkR112
Tang, Y., Montelione, G., Ciccosanti, C., Lee, D., Janjua, H., Everett, J., Swapna, G., Acton, T., Rose, B., Xiao, R.
Not known