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BMRB: 15850

2K5W

Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A.

Authors

Conover, K.M., Swapna, G., Rossi, P., Wang, D., Janjua, H., Owens, L., Xiao, R., Liu, J., Baran, M.C., Acton, T.B., Rost, B., Montelione, G.T.

Assembly

BcR103A

Entity

1. BcR103A (polymer, Thiol state: not present), 117 monomers, 13891.43 Da Detail

MERASLNRIG KDVYYMQIKG EGTIEKVDGR NLRNYTLPAY DEDGVKKQIT FRSTKKENDH KLNKYAFLRL YVDQDDNSKN EISSIEVKSY EEIQKADLPE KVKDKFTIKL EHHHHHH

Formula weight

13891.43 Da

Source organism

Bacillus cereus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.3 %, Completeness: 77.8 %, Completeness (bb): 83.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	77.8 % (1118 of 1437)	75.4 % (573 of 760)	80.6 % (444 of 551)	80.2 % (101 of 126)
Backbone	83.2 % (581 of 698)	81.4 % (193 of 237)	85.3 % (295 of 346)	80.9 % (93 of 115)
Sidechain	74.6 % (635 of 851)	72.7 % (380 of 523)	77.9 % (247 of 317)	72.7 % (8 of 11)
Aromatic	57.9 % (66 of 114)	57.9 % (33 of 57)	57.9 % (33 of 57)
Methyl	95.3 % (101 of 106)	94.3 % (50 of 53)	96.2 % (51 of 53)

1. BcR103A

MERASLNRIG KDVYYMQIKG EGTIEKVDGR NLRNYTLPAY DEDGVKKQIT FRSTKKENDH KLNKYAFLRL YVDQDDNSKN EISSIEVKSY EEIQKADLPE KVKDKFTIKL EHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details PST ID: BcR103A.011

#	Name	Isotope labeling	Concentration
1	BcR103A	[U-100% 13C; U-100% 15N]	0.6 mM
2	DSS	natural abundance	50 uM
3	DTT	natural abundance	10 mM
4	sodium azide	natural abundance	0.02 %
5	MES	natural abundance	20 mM
6	calcium chloride	natural abundance	5 mM
7	sodium chloride	natural abundance	100 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details PST ID: BcR103A.009

#	Name	Isotope labeling	Concentration
8	BcR103A	[5% 13C; U-100% 15N]	1.37 mM
9	DSS	natural abundance	50 uM
10	DTT	natural abundance	10 mM
11	sodium azide	natural abundance	0.02 %
12	MES	natural abundance	20 mM
13	calcium chloride	natural abundance	5 mM
14	sodium chloride	natural abundance	100 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details PST ID: BcR103A.011

#	Name	Isotope labeling	Concentration
15	BcR103A	[U-100% 13C; U-100% 15N]	0.5 mM
16	DSS	natural abundance	50 uM
17	DTT	natural abundance	10 mM
18	sodium azide	natural abundance	0.02 %
19	MES	natural abundance	20 mM
20	calcium chloride	natural abundance	5 mM
21	sodium chloride	natural abundance	100 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: -0.1 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: -0.1 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: -0.13 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: 0.34 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K5W, Strand ID: A Detail

Release date

2008-10-12

Citation

Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A
Conover, K.M., Swapna, G., Rossi, P., Wang, D., Janjua, H., Owens, L., Xiao, R., Liu, J., Baran, M.C., Acton, T.B., Rost, B., Montelione, G.T.
Not known

Related entities 1. BcR103A, : 1 : 2 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC