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BMRB: 17280

2L5Q

Solution NMR Structure of BVU_3817 from , Northeast Structural Genomics Consortium Target BvR159

Authors

Mills, J.L., Eletsky, A., Lee, H., Wang, D., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Everett, J.K., Prestegard, J.H., Montelione, G.T., Szyperski, T.

Assembly

BvR159

Entity

1. BvR159 (polymer, Thiol state: not present), 142 monomers, 15869.01 Da Detail

MLKTILSIAG KPGLYKLISQ GKNMLIVETV DAAKKRVPAY AHDKVISLAD IAMYTDAEEV PLSEVLEAVK KKENGAVASI NYKKASADEL HAYFAEVLPN YDRDRVHNGD IKKLISWYNI LVNNGITEFV EAPALEHHHH HH

Formula weight

15869.01 Da

Source organism

Phocaeicola vulgatus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 94.4 %, Completeness: 84.7 %, Completeness (bb): 90.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.7 % (1406 of 1660)	83.8 % (717 of 856)	85.1 % (559 of 657)	88.4 % (130 of 147)
Backbone	90.7 % (764 of 842)	89.1 % (254 of 285)	92.4 % (388 of 420)	89.1 % (122 of 137)
Sidechain	80.5 % (768 of 954)	81.1 % (463 of 571)	79.6 % (297 of 373)	80.0 % (8 of 10)
Aromatic	56.5 % (70 of 124)	71.0 % (44 of 62)	41.0 % (25 of 61)	100.0 % (1 of 1)
Methyl	97.3 % (181 of 186)	97.8 % (91 of 93)	96.8 % (90 of 93)

1. BvR159

MLKTILSIAG KPGLYKLISQ GKNMLIVETV DAAKKRVPAY AHDKVISLAD IAMYTDAEEV PLSEVLEAVK KKENGAVASI NYKKASADEL HAYFAEVLPN YDRDRVHNGD IKKLISWYNI LVNNGITEFV EAPALEHHHH HH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.78 mM [U-98% 13C; U-98% 15N] BvR159, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	BvR159	[U-98% 13C; U-98% 15N]	0.78 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	5 mM
4	sodium azide	natural abundance	0.02 %
5	TRIS	natural abundance	10 mM
6	D2O	natural abundance	5 %
7	H2O	natural abundance	95 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.66 mM [U-5% 13C; U-98% 15N] BvR159, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	BvR159	[5% U-98% 13C; U-98% 15N]	0.66 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	5 mM
11	sodium azide	natural abundance	0.02 %
12	TRIS	natural abundance	10 mM
13	D2O	natural abundance	5 %
14	H2O	natural abundance	95 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 7% Positively Charged Compressed GEL

#	Name	Isotope labeling	Concentration
15	BvR159	[5% U-98% 13C; U-98% 15N]	0.61 mM
16	sodium chloride	natural abundance	100 mM
17	DTT	natural abundance	5 mM
18	sodium azide	natural abundance	0.02 %
19	TRIS	natural abundance	10 mM
20	D2O	natural abundance	5 %
21	H2O	natural abundance	95 %
22	PAGE	natural abundance	7 %

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: 0.01 ppm, Outliers: 3 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: 0.01 ppm, Outliers: 3 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: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 0.29 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L5Q, Strand ID: A Detail

Release date

2010-11-14

Related entities 1. BvR159, : 1 : 1 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC