BMRB Entry 30636

Name: Structural Basis for Client Recognition and Activity of Hsp40 Chaperones
Published: 2019-09-11

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30636

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structural Basis for Client Recognition and Activity of Hsp40 Chaperones

Deposition date: 2019-07-10 Original release date: 2019-09-11

Authors: Jiang, Y.; Rossi, P.; Kalodimos, C.

Citation: Jiang, Y.; Rossi, P.; Kalodimos, C.. "Structural Basis for Client Recognition and Activity of Hsp40 Chaperones" . ., .-..

Assembly members:
entity_1, polymer, 90 residues, 9176.394 Da.

Natural source: Common Name: Thermus thermophilus Taxonomy ID: 274 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermus thermophilus

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: MDDVIDADYKPADGSGGSGG SGGSQDLYATLDVPAPIAVV GGKVRAMTLEGPVEVAVPPR TQAGRKLRLKGKGFPGPAGR GDLYLEVRIT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	352
15N chemical shifts	80
1H chemical shifts	538

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 90 residues - 9176.394 Da.

1	MET	ASP	ASP	VAL	ILE	ASP	ALA	ASP	TYR	LYS
2	PRO	ALA	ASP	GLY	SER	GLY	GLY	SER	GLY	GLY
3	SER	GLY	GLY	SER	GLN	ASP	LEU	TYR	ALA	THR
4	LEU	ASP	VAL	PRO	ALA	PRO	ILE	ALA	VAL	VAL
5	GLY	GLY	LYS	VAL	ARG	ALA	MET	THR	LEU	GLU
6	GLY	PRO	VAL	GLU	VAL	ALA	VAL	PRO	PRO	ARG
7	THR	GLN	ALA	GLY	ARG	LYS	LEU	ARG	LEU	LYS
8	GLY	LYS	GLY	PHE	PRO	GLY	PRO	ALA	GLY	ARG
9	GLY	ASP	LEU	TYR	LEU	GLU	VAL	ARG	ILE	THR

Samples:

sample_1: DnaK-ctail-CBD2, [U-100% 13C; U-100% 15N], 1 mM; potassium chloride 75 mM; potassium phosphate 20 mM; sodium azide 0.04%

sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CaroCH-noesy	sample_1	isotropic	sample_conditions_1
3D CCH-noesy	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

Sparky, Goddard - peak picking

TopSpin, Bruker Biospin - collection

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

PSVS, Bhattacharya and Montelione - geometry optimization

NMR spectrometers:

Bruker AVANCE NEO 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

1	MET	ASP	ASP	VAL	ILE	ASP	ALA	ASP	TYR	LYS
2	PRO	ALA	ASP	GLY	SER	GLY	GLY	SER	GLY	GLY
3	SER	GLY	GLY	SER	GLN	ASP	LEU	TYR	ALA	THR
4	LEU	ASP	VAL	PRO	ALA	PRO	ILE	ALA	VAL	VAL
5	GLY	GLY	LYS	VAL	ARG	ALA	MET	THR	LEU	GLU
6	GLY	PRO	VAL	GLU	VAL	ALA	VAL	PRO	PRO	ARG
7	THR	GLN	ALA	GLY	ARG	LYS	LEU	ARG	LEU	LYS
8	GLY	LYS	GLY	PHE	PRO	GLY	PRO	ALA	GLY	ARG
9	GLY	ASP	LEU	TYR	LEU	GLU	VAL	ARG	ILE	THR

1	MET	ASP	ASP	VAL	ILE	ASP	ALA	ASP	TYR	LYS
2	PRO	ALA	ASP	GLY	SER	GLY	GLY	SER	GLY	GLY
3	SER	GLY	GLY	SER	GLN	ASP	LEU	TYR	ALA	THR
4	LEU	ASP	VAL	PRO	ALA	PRO	ILE	ALA	VAL	VAL
5	GLY	GLY	LYS	VAL	ARG	ALA	MET	THR	LEU	GLU
6	GLY	PRO	VAL	GLU	VAL	ALA	VAL	PRO	PRO	ARG
7	THR	GLN	ALA	GLY	ARG	LYS	LEU	ARG	LEU	LYS
8	GLY	LYS	GLY	PHE	PRO	GLY	PRO	ALA	GLY	ARG
9	GLY	ASP	LEU	TYR	LEU	GLU	VAL	ARG	ILE	THR

1	MET	ASP	ASP	VAL	ILE	ASP	ALA	ASP	TYR	LYS
2	PRO	ALA	ASP	GLY	SER	GLY	GLY	SER	GLY	GLY
3	SER	GLY	GLY	SER	GLN	ASP	LEU	TYR	ALA	THR
4	LEU	ASP	VAL	PRO	ALA	PRO	ILE	ALA	VAL	VAL
5	GLY	GLY	LYS	VAL	ARG	ALA	MET	THR	LEU	GLU
6	GLY	PRO	VAL	GLU	VAL	ALA	VAL	PRO	PRO	ARG
7	THR	GLN	ALA	GLY	ARG	LYS	LEU	ARG	LEU	LYS
8	GLY	LYS	GLY	PHE	PRO	GLY	PRO	ALA	GLY	ARG
9	GLY	ASP	LEU	TYR	LEU	GLU	VAL	ARG	ILE	THR