BMRB Entry 27392

Name: E.Coli DnaK Nucleotide Binding Domain
Published: 2018-02-02

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27392

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

E.Coli DnaK Nucleotide Binding Domain

Deposition date:

2018-01-29

Original release date:

2018-02-02

Authors:

Zuiderweg, Erik; Bertelsen, Eric

Citation:

Citation: Bertelsen, Eric; Chang, Lyra; Gestwicki, Jason; Zuiderweg, Erik. "Solution conformation of wild-type E. coli Hsp70 (DnaK) chaperone complexed with ADP and substrate" Proc. Natl. Acad. Sci. U. S. A. 106, 8471-8476 (2009).
PubMed: 19439666

Assembly members:

Assembly members:
Dnak1-388, polymer, 388 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Dnak1-388: MGKIIGIDLGTTNSCVAIMD GTTPRVLENAEGDRTTPSII AYTQDGETLVGQPAKRQAVT NPQNTLFAIKRLIGRRFQDE EVQRDVSIMPFKIIAADNGD AWVEVKGQKMAPPQISAEVL KKMKKTAEDYLGEPVTEAVI TVPAYFNDAQRQATKDAGRI AGLEVKRIINEPTAAALAYG LDKGTGNRTIAVYDLGGGTF DISIIEIDEVDGEKTFEVLA TNGDTHLGGEDFDSRLINYL VEEFKKDQGIDLRNDPLAMQ RLKEAAEKAKIELSSAQQTD VNLPYITADATGPKHMNIKV TRAKLESLVEDLVNRSIEPL KVALQDAGLSVSDIDDVILV GGQTRMPMVQKKVAEFFGKE PRKDVNPDEAVAIGAAVQGG VLTGDVKD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	943
15N chemical shifts	309
1H chemical shifts	309

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DnaK	1

Entities:

Entity 1, DnaK 388 residues - Formula weight is not available

1

MET

GLY

LYS

ILE

GLY

ILE

ASP

LEU

GLY

2

THR

ASN

SER

CYS

VAL

ALA

ILE

MET

ASP

3

GLY

THR

PRO

ARG

VAL

LEU

GLU

ASN

ALA

4

GLU

GLY

ASP

ARG

THR

PRO

SER

ILE

5

ALA

TYR

THR

GLN

ASP

GLY

GLU

THR

LEU

VAL

6

GLY

GLN

PRO

ALA

LYS

ARG

GLN

ALA

VAL

THR

7

ASN

PRO

GLN

ASN

THR

LEU

PHE

ALA

ILE

LYS

8

ARG

LEU

ILE

GLY

ARG

PHE

GLN

ASP

GLU

9

GLU

VAL

GLN

ARG

ASP

VAL

SER

ILE

MET

PRO

10

PHE

LYS

ILE

ALA

ASP

ASN

GLY

ASP

11

ALA

TRP

VAL

GLU

VAL

LYS

GLY

GLN

LYS

MET

12

ALA

PRO

GLN

ILE

SER

ALA

GLU

VAL

LEU

13

LYS

MET

LYS

THR

ALA

GLU

ASP

TYR

14

LEU

GLY

GLU

PRO

VAL

THR

GLU

ALA

VAL

ILE

15

THR

VAL

PRO

ALA

TYR

PHE

ASN

ASP

ALA

GLN

16

ARG

GLN

ALA

THR

LYS

ASP

ALA

GLY

ARG

ILE

17

ALA

GLY

LEU

GLU

VAL

LYS

ARG

ILE

ASN

18

GLU

PRO

THR

ALA

LEU

ALA

TYR

GLY

19

LEU

ASP

LYS

GLY

THR

GLY

ASN

ARG

THR

ILE

20

ALA

VAL

TYR

ASP

LEU

GLY

THR

PHE

21

ASP

ILE

SER

ILE

GLU

ILE

ASP

GLU

VAL

22

ASP

GLY

GLU

LYS

THR

PHE

GLU

VAL

LEU

ALA

23

THR

ASN

GLY

ASP

THR

HIS

LEU

GLY

GLU

24

ASP

PHE

ASP

SER

ARG

LEU

ILE

ASN

TYR

LEU

25

VAL

GLU

PHE

LYS

ASP

GLN

GLY

ILE

26

ASP

LEU

ARG

ASN

ASP

PRO

LEU

ALA

MET

GLN

27

ARG

LEU

LYS

GLU

ALA

GLU

LYS

ALA

LYS

28

ILE

GLU

LEU

SER

ALA

GLN

THR

ASP

29

VAL

ASN

LEU

PRO

TYR

ILE

THR

ALA

ASP

ALA

30

THR

GLY

PRO

LYS

HIS

MET

ASN

ILE

LYS

VAL

31

THR

ARG

ALA

LYS

LEU

GLU

SER

LEU

VAL

GLU

32

ASP

LEU

VAL

ASN

ARG

SER

ILE

GLU

PRO

LEU

33

LYS

VAL

ALA

LEU

GLN

ASP

ALA

GLY

LEU

SER

34

VAL

SER

ASP

ILE

ASP

VAL

ILE

LEU

VAL

35

GLY

GLN

THR

ARG

MET

PRO

MET

VAL

GLN

36

LYS

VAL

ALA

GLU

PHE

GLY

LYS

GLU

37

PRO

ARG

LYS

ASP

VAL

ASN

PRO

ASP

GLU

ALA

38

VAL

ALA

ILE

GLY

ALA

VAL

GLN

GLY

39

VAL

LEU

THR

GLY

ASP

VAL

LYS

ASP

Samples:

sample_1: Dnak1-388, [U-100% 13C; U-100% 15N; U-100% 2H], 0.15 – 0.25 mM; TrisHCl 25 mM; KCl 10 mM; MgCl2 5 mM; DTT 10 mM; ADP 5 mM; K2HPO4 10 mM; NaN3 0.2%

sample_conditions_1: ionic strength: 0.05 M; pH: 7.2; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCOTROSY	sample_1	isotropic	sample_conditions_1
3D HNCATROSY	sample_1	isotropic	sample_conditions_1
3D HNCACBTROSY	sample_1	isotropic	sample_conditions_1
3D HN(CO)CATROSY	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CBTROSY	sample_1	isotropic	sample_conditions_1
3D HN(CA)COTROSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY TROSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC TROSY	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Zhengrong and Bax - processing

NMR spectrometers:

Varian INOVA 800 MHz

UNP	P0A6Y8
AlphaFold	P04475