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BMRB: 16692

2KTA

Solution NMR structure of a domain of protein A6KY75 from Bacteroides vulgatus, Northeast Structural Genomics target BvR106A

Authors

Mills, J.L., Sukumaran, D.K., Sathyamoorthy, B., Belote, R.L., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Swapna, G., Everett, J.K., Montelione, G.T., Szyperski, T.

Assembly

BvR106A

Entity

1. BvR106A (polymer, Thiol state: all free), 74 monomers, 9095.323 Da Detail

MNQNLQGEWM KNYEELKSFV RKYRRFPKST EGNLGGWCHT QRKMRKQGKL PNDRRLLLDK IGFVWSLEHH HHHH

Formula weight

9095.323 Da

Source organism

Phocaeicola vulgatus

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 91.9 %, Completeness: 83.8 %, Completeness (bb): 77.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.8 % (796 of 950)	91.3 % (464 of 508)	71.2 % (255 of 358)	91.7 % (77 of 84)
Backbone	77.7 % (342 of 440)	91.4 % (139 of 152)	63.9 % (138 of 216)	90.3 % (65 of 72)
Sidechain	89.3 % (516 of 578)	91.3 % (325 of 356)	85.2 % (179 of 210)	100.0 % (12 of 12)
Aromatic	69.1 % (76 of 110)	78.2 % (43 of 55)	57.7 % (30 of 52)	100.0 % (3 of 3)
Methyl	100.0 % (48 of 48)	100.0 % (24 of 24)	100.0 % (24 of 24)

1. BvR106A

MNQNLQGEWM KNYEELKSFV RKYRRFPKST EGNLGGWCHT QRKMRKQGKL PNDRRLLLDK IGFVWSLEHH HHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	BvR106A	[U-99% 13C; U-99% 15N]	1.11 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	MES	natural abundance	20 mM
5	sodium chloride	natural abundance	100 mM
6	calcium chloride	natural abundance	5 mM
7	DTT	natural abundance	10 mM
8	DSS	natural abundance	50 uM
9	sodium azide	natural abundance	0.02 %

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: -0.01 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: -0.01 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: 1 Detail

Protein Blocks Logo

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

Release date

2010-03-01

Citation

Solution NMR structure of a domain of protein A6KY75 from Bacteroides vulgatus, Northeast Structural Genomics target BvR106A
Mills, J.L., Sukumaran, D.K., Sathyamoorthy, B., Belote, R.L., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Swapna, G., Everett, J.K., Montelione, G.T., Szyperski, T.
Not known

Related entities 1. BvR106A, : 1 : 2 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC