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BMRB: 16564

2KPQ

NMR Structure of Agrobacterium tumefaciens protein Atu1219: Northeast Structural Genomics Consortium target AtT14

Authors

Cort, J.R., Yee, A., Arrowsmith, C.H., Kennedy, M.A.

Assembly

Atu1219

Entity

1. Atu1219 (polymer, Thiol state: all free), 100 monomers, 11043.40 Da Detail

MEVQSMLLND VKWEKPVTIS LQNGAPRIFN GVYEAFDFLQ HEWPARGDRA HEQALRLCRA SLMGDVAGEI ARTAFVAASR QAHCLMEDKA EAPNTIASGS

Formula weight

11043.4 Da

Source organism

Agrobacterium tumefaciens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.1 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.1 % (1050 of 1128)	90.8 % (530 of 584)	94.7 % (414 of 437)	99.1 % (106 of 107)
Backbone	98.1 % (581 of 592)	98.5 % (199 of 202)	98.0 % (288 of 294)	97.9 % (94 of 96)
Sidechain	87.8 % (553 of 630)	85.1 % (325 of 382)	92.0 % (218 of 237)	90.9 % (10 of 11)
Aromatic	69.0 % (58 of 84)	69.0 % (29 of 42)	67.5 % (27 of 40)	100.0 % (2 of 2)
Methyl	95.4 % (103 of 108)	94.4 % (51 of 54)	96.3 % (52 of 54)

1. Atu1219

MEVQSMLLND VKWEKPVTIS LQNGAPRIFN GVYEAFDFLQ HEWPARGDRA HEQALRLCRA SLMGDVAGEI ARTAFVAASR QAHCLMEDKA EAPNTIASGS

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Atu1219	[U-100% 13C; U-100% 15N]	0.9 mM
2	sodium chloride	natural abundance	450 mM
3	MES	natural abundance	20 mM
4	DTT	natural abundance	5 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	Atu1219	[U-100% 13C; U-100% 15N]	0.9 mM
8	sodium chloride	natural abundance	450 mM
9	MES	natural abundance	20 mM
10	DTT	natural abundance	5 mM
11	D2O	natural abundance	100 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	Atu1219	[U-100% 15N], 7% 13C biosynthetically directed labeling	0.9 mM
13	sodium chloride	natural abundance	450 mM
14	MES	natural abundance	20 mM
15	DTT	natural abundance	5 mM
16	H2O	natural abundance	95 %
17	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: -0.06 ppm, Outliers: 2 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: -0.06 ppm, Outliers: 2 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: 0.07 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: -0.08 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-08-02

Citation

NMR Structure of Agrobacterium tumefaciens protein Atu1219
Cort, J.R., Yee, A., Arrowsmith, C.H., Kennedy, M.A.
Not known

Related entities 1. Atu1219, : 1 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC