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BMRB: 16594

2KQ9

Solution structure of DnaK suppressor protein from Agrobacterium tumefaciens C58. Northeast Structural Genomics Consortium target AtT12/Ontario Center for Structural Proteomics Target atc0888

Authors

Wu, B., Yee, A., Fares, C., Lemak, A., Semest, A., Arrowsmith, C.

Assembly

atc0888

Entity

1. atc0888 (polymer, Thiol state: all free), 112 monomers, 12616.95 Da Detail

LAGGKSMNVE SYEKILRDRQ RELYRRLHKI EADFEEPRNP DDEDRASERS NDEVLDELGQ VGQDELRAID AALARIASGT FGTCVKCGKR ISEDRLKAVP YTPFCQECAA AL

2. ZN (non-polymer, Thiol state: not present), 65.409 Da

Total weight

12682.359 Da

Max. entity weight

12616.95 Da

Source organism

Agrobacterium fabrum str. C58

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 95.2 %, Completeness (bb): 95.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.2 % (1206 of 1267)	95.8 % (639 of 667)	94.2 % (457 of 485)	95.7 % (110 of 115)
Backbone	95.8 % (636 of 664)	95.2 % (216 of 227)	96.4 % (317 of 329)	95.4 % (103 of 108)
Sidechain	95.3 % (675 of 708)	96.1 % (423 of 440)	93.9 % (245 of 261)	100.0 % (7 of 7)
Aromatic	63.8 % (37 of 58)	82.8 % (24 of 29)	44.8 % (13 of 29)
Methyl	100.0 % (110 of 110)	100.0 % (55 of 55)	100.0 % (55 of 55)

1. atc0888

LAGGKSMNVE SYEKILRDRQ RELYRRLHKI EADFEEPRNP DDEDRASERS NDEVLDELGQ VGQDELRAID AALARIASGT FGTCVKCGKR ISEDRLKAVP YTPFCQECAA AL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	atc0888	[U-100% 13C; U-100% 15N]	0.5 mM
2	TRIS	[U-100% 2H]	10 mM
3	sodium chloride	natural abundance	300 mM
4	zinc sulphate	natural abundance	10 uM
5	DTT	[U-100% 2H]	10 mM
6	benzamidine	natural abundance	10 mM
7	inhibitor cocktail	natural abundance	1 na
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
10	atc0888	[U-7% 13C; U-100% 15N]	0.5 mM
11	TRIS	[U-100% 2H]	10 mM
12	sodium chloride	natural abundance	300 mM
13	zinc sulphate	natural abundance	10 uM
14	DTT	[U-100% 2H]	10 mM
15	benzamidine	natural abundance	10 mM
16	inhibitor cocktail	natural abundance	1 na
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

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: -0.12 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: -0.12 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: 0.12 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: 0.19 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KQ9, Strand ID: A Detail

Release date

2009-11-23

Citation

Solution Structure of DnaK protein from Agrobacterium tumefaciens C58. Northeast Structural Genomics Consortium target AtT12/Ontario Center for Structural Proteomics Target atc0888
Wu, B., Yee, A., Fares, C., Lemak, A., Semest, A., Arrowsmith, C.
Not known

Related entities 1. atc0888, : 1 : 12 entities Detail

Experiments performed 12 experiments Detail

1 3D HNCO