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BMRB: 16791

2KVT

solution NMR structure of yaiA from Escherichia Eoli. Northeast Structural Genomics Target ER244

Authors

Tang, Y., Janjua, H., Xiao, R., Acton, T.B., Swapna, G., Rost, B., Montelione, G.T.

Assembly

yaiA

Entity

1. yaiA (polymer, Thiol state: not present), 71 monomers, 8346.208 Da Detail

MPTKPPYPRE AYIVTIEKGK PGQTVTWYQL RADHPKPDSL ISEHPTAQEA MDAKKRYEDP DKELEHHHHH H

Formula weight

8346.208 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics, distance geometry, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.1 %, Completeness: 86.8 %, Completeness (bb): 86.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.8 % (739 of 851)	88.2 % (398 of 451)	85.0 % (284 of 334)	86.4 % (57 of 66)
Backbone	86.0 % (351 of 408)	87.4 % (118 of 135)	85.3 % (180 of 211)	85.5 % (53 of 62)
Sidechain	87.9 % (450 of 512)	88.6 % (280 of 316)	86.5 % (166 of 192)	100.0 % (4 of 4)
Aromatic	57.9 % (44 of 76)	57.9 % (22 of 38)	56.8 % (21 of 37)	100.0 % (1 of 1)
Methyl	100.0 % (52 of 52)	100.0 % (26 of 26)	100.0 % (26 of 26)

1. yaiA

MPTKPPYPRE AYIVTIEKGK PGQTVTWYQL RADHPKPDSL ISEHPTAQEA MDAKKRYEDP DKELEHHHHH H

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	ER244	[U-5% 13C; U-100% 15N]	1.00 mM
2	DTT	natural abundance	5 mM
3	sodium chloride	natural abundance	100 mM
4	TRIS	natural abundance	10 mM
5	NaN3	natural abundance	10 mM
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
8	ER244	[U-100% 13C; U-100% 15N]	1.37 mM
9	DTT	natural abundance	5 mM
10	sodium chloride	natural abundance	100 mM
11	TRIS	natural abundance	10 mM
12	NaN3	natural abundance	10 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %

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: -0.02 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: -0.02 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: -0.02 ppm, Outliers: 2 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: 0.12 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2010-04-25

Citation

solution NMR structure of yaiA from Escherichia coli. Northeast Structural Genomics Target ER244
Tang, Y., Janjua, H., Xiao, R., Acton, T.B., Swapna, G., Rost, B., Montelione, G.T.
Not known

Related entities 1. yaiA, : 1 : 2 : 6 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC