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BMRB: 16030

2KAT

Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206

Authors

Wu, Y., Mills, J.L., Wang, D., Jiang, M., Foote, E.L., Xiao, R., Sathyamoorthy, B., Sukumaran, D., Nair, R., Everett, J.K., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.

Assembly

BPP2914

Entity

1. BPP2914 (polymer, Thiol state: all free), 115 monomers, 13068.52 Da Detail

MQAITERLEA MLAQGTDNML LRFTLGKTYA EHEQFDAALP HLRAALDFDP TYSVAWKWLG KTLQGQGDRA GARQAWESGL AAAQSRGDQQ VVKELQVFLR RLAREDALEH HHHHH

Formula weight

13068.52 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.7 %, Completeness (bb): 84.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.7 % (1170 of 1334)	94.5 % (653 of 691)	76.0 % (392 of 516)	98.4 % (125 of 127)
Backbone	84.1 % (577 of 686)	96.6 % (228 of 236)	70.6 % (238 of 337)	98.2 % (111 of 113)
Sidechain	92.6 % (699 of 755)	93.4 % (425 of 455)	90.9 % (260 of 286)	100.0 % (14 of 14)
Aromatic	72.6 % (90 of 124)	80.6 % (50 of 62)	62.7 % (37 of 59)	100.0 % (3 of 3)
Methyl	100.0 % (126 of 126)	100.0 % (63 of 63)	100.0 % (63 of 63)

1. BPP

MQAITERLEA MLAQGTDNML LRFTLGKTYA EHEQFDAALP HLRAALDFDP TYSVAWKWLG KTLQGQGDRA GARQAWESGL AAAQSRGDQQ VVKELQVFLR RLAREDALEH HHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 4.5

#	Name	Isotope labeling	Concentration
1	BPP	[U-5% 13C; U-100% 15N]	0.3 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Ammonium Acetate	natural abundance	20 mM
5	NaCl	natural abundance	200 mM
6	CaCl2	natural abundance	5 mM
7	DTT	natural abundance	10 mM
8	DSS	natural abundance	50 uM
9	NaN3	natural abundance	.02 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 4.5

#	Name	Isotope labeling	Concentration
10	BPP	[U-100% 13C; U-100% 15N]	0.3 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %
13	Ammonium Acetate	natural abundance	20 mM
14	NaCl	natural abundance	200 mM
15	CaCl2	natural abundance	5 mM
16	DTT	natural abundance	10 mM
17	DSS	natural abundance	50 uM
18	NaN3	natural abundance	.02 %

LACS Plot; CA

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

Referencing offset: 0.11 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.11 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2009-03-04

Citation

Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206
Wu, Y., Mills, J.L., Wang, D., Jiang, M., Foote, E.L., Xiao, R., Sathyamoorthy, B., Sukumaran, D., Nair, R., Everett, J.K., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.
Not known

Related entities 1. BPP2914, : 1 : 8 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC