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BMRB: 17210


17210
7KRW
Backbone 1H, 13C, and 15N Chemical Shift Backbone 1H, 13C, and 15N chemical shift assignments for the nucleotide-binding domain of E.coli DnaK in the ATP-bound state
Authors
Zhuravleva, A., Gierasch, L.M.
Assembly
NBD(1-392)
Entity
1. the nucleotide-binding domain of DnaK (polymer, Thiol state: all free), 392 monomers, 42431.78 Da Detail

MGKIIGIDLG TTNSCVAIMD GTTPRVLENA EGDRTTPSII AYTQDGETLV GQPAKRQAVT NPQNTLFAIK RLIGRRFQDE EVQRDVSIMP FKIIAADNGD AWVEVKGQKM APPQISAEVL KKMKKTAEDY LGEPVTEAVI TVPAYFNDAQ RQATKDAGRI AGLEVKRIIN EPTAAALAYG LDKGTGNRTI AVYDLGGGAF DISIIEIDEV DGEKTFEVLA TNGDTHLGGE DFDSRLINYL VEEFKKDQGI DLRNDPLAMQ RLKEAAEKAK IELSSAQQTD VNLPYITADA TGPKHMNIKV TRAKLESLVE DLVNRSIEPL KVALQDAGLS VSDIDDVILV GGQTRMPMVQ KKVAEFFGKE PRKDVNPDEA VAIGAAVQGG VLTGDVKDVL LL


2. ATP (non-polymer), 507.181 Da
3. AGS (non-polymer), 523.247 Da
4. MG (non-polymer), 24.305 Da
Total weight
43486.51 Da
Max. entity weight
42431.78 Da
Source organism
Escherichia coli
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 96.4 %, Completeness: 51.5 %, Completeness (bb): 79.3 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All51.5 % (2281 of 4425)32.8 % (753 of 2293)68.5 % (1180 of 1723)85.1 % (348 of 409)
Backbone79.3 % (1839 of 2318)54.3 % (434 of 800)92.9 % (1062 of 1143)91.5 % (343 of 375)
Sidechain31.4 % (775 of 2466)21.4 % (319 of 1493)48.0 % (451 of 939)14.7 % (5 of 34)
Aromatic 0.0 % (0 of 176) 0.0 % (0 of 88) 0.0 % (0 of 87) 0.0 % (0 of 1)
Methyl30.5 % (155 of 508)25.6 % (65 of 254)35.4 % (90 of 254)

1. the nucleotide-binding domain of DnaK

MGKIIGIDLG TTNSCVAIMD GTTPRVLENA EGDRTTPSII AYTQDGETLV GQPAKRQAVT NPQNTLFAIK RLIGRRFQDE EVQRDVSIMP FKIIAADNGD AWVEVKGQKM APPQISAEVL KKMKKTAEDY LGEPVTEAVI TVPAYFNDAQ RQATKDAGRI AGLEVKRIIN EPTAAALAYG LDKGTGNRTI AVYDLGGGAF DISIIEIDEV DGEKTFEVLA TNGDTHLGGE DFDSRLINYL VEEFKKDQGI DLRNDPLAMQ RLKEAAEKAK IELSSAQQTD VNLPYITADA TGPKHMNIKV TRAKLESLVE DLVNRSIEPL KVALQDAGLS VSDIDDVILV GGQTRMPMVQ KKVAEFFGKE PRKDVNPDEA VAIGAAVQGG VLTGDVKDVL LL

Show sample condition
Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 (±0.2) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1potassium phosphatenatural abundance10 mM
2magnesium chloridenatural abundance10 mM
3AEBSF protease inhibitornatural abundance1 uM
4DTTnatural abundance5 mM
5DSSnatural abundance0.5 mM
6ATPnatural abundance10 mM
7potassium chloridenatural abundance10 mM
8the nucleotide-binding domain of DnaK[U-97% 2H; U-95% 13C; U-95% 15N]0.5 mM
9H2Onatural abundance95 %
10D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 299 (±0.2) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
11potassium phosphatenatural abundance10 mM
12magnesium chloridenatural abundance10 mM
13AEBSF protease inhibitornatural abundance1 uM
14DTTnatural abundance5 mM
15DSSnatural abundance0.5 mM
16ATPgSnatural abundance10 mM
17potassium chloridenatural abundance10 mM
18the nucleotide-binding domain of DnaK[U-97% 2H; U-95% 13C; U-95% 15N]0.5 mM
19H2Onatural abundance95 %
20D2Onatural abundance5 %

LACS Plot; CA
Referencing offset: -0.14 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.14 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.17 ppm, Outliers: 2 Detail
Release date
2011-05-04
Citation 1
NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 ,
Show more 3 citaions
Citation 2
Allosteric signal transmission in the nucleotide-binding domain of 70-kDa heat shock protein (Hsp70) molecular chaperones
Zhuravleva, A., Gierasch, L.M.
Proc. Natl. Acad. Sci. U. S. A. (2011), 108, 6987-6992, PubMed 21482798 , DOI 10.1073/pnas.1014448108 ,
Citation 3
Automated analysis of protein NMR assignments using methods from artificial intelligence
Zimmerman, D., Kulikowski, C., Huang, Y., Feng, W., Tashiro, M., Shimotakahara, S., Chien, C., Powers, R., Montelione, G.
J. Mol. Biol. (1997), 269, 592-610, PubMed 9217263 ,
Citation 4
Optimizing the process of nuclear magnetic resonance spectrum analysis and computer aided resonance assignment
Keller, R.
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  BMRB: 4388 released on 2000-03-19
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  BMRB: 4352 released on 1999-10-06
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  BMRB: 4249 released on 1999-08-05
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  BMRB: 4293 released on 1999-03-08
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  BMRB: 4312 released on 1999-03-02
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  BMRB: 4296 released on 1999-02-09
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  BMRB: 4109 released on 1999-02-01
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  BMRB: 4098 released on 1998-12-20
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  BMRB: 4110 released on 1998-10-13
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Related entities 1. the nucleotide-binding domain of DnaK, : 1 : 2 : 16 : 283 entities Detail
More details for 302 related entities
Interaction partners 1. the nucleotide-binding domain of DnaK, : 322 interactors Detail
More details for 322 interactors identified by 9 citations
Experiments performed 9 experiments Detail
Chemical shift validation 6 contents Detail
Keywords allostery, conformational ensemble, DnaK, Hsp70 molecular chaperone, interdomain linker, nucleotide-binding domain, subdomain motions