BMRBj - BMREntryMaster

Found 1 Document (0.881 seconds)

BMRB: 30637

6PRQ

Structural Basis for Client Recognition and Activity of Hsp40 Chaperones

Authors

Jiang, Y., Rossi, P., Kalodimos, C.G.

Assembly

Alkaline phosphatase,Chaperone protein DnaJ 2 (E.C.3.1.3.1)

Entity

1. Alkaline phosphatase,Chaperone protein DnaJ 2 (E.C.3.1.3.1) (polymer, Thiol state: not present), 161 monomers, 16601.98 Da Detail

AALVAHVTSG SGGSGGSGGS GRDLRAELPL TLEEAFHGGE RVVEVAGRRV SVRIPPGVRE GSVIRVPGMG GQGNPPGDLL LVVRLLPHPV FRLEGQDLYA TLDVPAPIAV VGGKVRAMTL EGPVEVAVPP RTQAGRKLRL KGKGFPGPAG RGDLYLEVRI T

Formula weight

16601.98 Da

Source organism

Escherichia coli K-12 , Thermus thermophilus HB8

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.7 %, Completeness: 43.1 %, Completeness (bb): 56.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.1 % (753 of 1747)	30.0 % (272 of 908)	50.4 % (347 of 689)	89.3 % (134 of 150)
Backbone	56.9 % (533 of 936)	44.2 % (148 of 335)	54.9 % (250 of 455)	92.5 % (135 of 146)
Sidechain	34.9 % (329 of 944)	21.6 % (124 of 573)	55.9 % (205 of 367)	0.0 % (0 of 4)
Aromatic	0.0 % (0 of 58)	0.0 % (0 of 29)	0.0 % (0 of 29)
Methyl	92.9 % (195 of 210)	92.4 % (97 of 105)	93.3 % (98 of 105)

1. entity 1

AALVAHVTSG SGGSGGSGGS GRDLRAELPL TLEEAFHGGE RVVEVAGRRV SVRIPPGVRE GSVIRVPGMG GQGNPPGDLL LVVRLLPHPV FRLEGQDLYA TLDVPAPIAV VGGKVRAMTL EGPVEVAVPP RTQAGRKLRL KGKGFPGPAG RGDLYLEVRI T

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [ILVMAT-sel-1H-13C_methyls; U-15N; U-2H] C-CBD1-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	C-CBD1-CBD2	[ILVMAT-sel-1H-13C_methyls; U-15N; U-2H]	1 mM
2	potassium chloride	natural abundance	75 mM
3	potassium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.04 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] C-CBD1-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	C-CBD1-CBD2	[U-100% 13C; U-100% 15N]	1 mM
6	potassium chloride	natural abundance	75 mM
7	potassium phosphate	natural abundance	20 mM
8	sodium azide	natural abundance	0.04 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.29 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.29 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6PRQ, Strand ID: A Detail

Release date

2019-08-06

Citation

Structural basis for client recognition and activity of Hsp40 chaperones
Jiang, Y., Rossi, P., Kalodimos, C.G.
Science (2019), 365, 1313-1319, PubMed 31604242 , DOI 10.1126/science.aax1280 , Abstract

Related entities 1. Alkaline phosphatase,Chaperone protein DnaJ 2 (E.C.3.1.3.1), : 1 : 3 : 118 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [U-100% 13C; U-100% 15N] C-CBD1-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	C-CBD1-CBD2	[U-100% 13C; U-100% 15N]	1 mM
6	potassium chloride	natural abundance	75 mM
7	potassium phosphate	natural abundance	20 mM
8	sodium azide	natural abundance	0.04 %

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	C-CBD1-CBD2	[U-100% 13C; U-100% 15N]	1 mM
6	potassium chloride	natural abundance	75 mM
7	potassium phosphate	natural abundance	20 mM
8	sodium azide	natural abundance	0.04 %

3 2D 1H-13C HMQC

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1 mM [ILVMAT-sel-1H-13C_methyls; U-15N; U-2H] C-CBD1-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	C-CBD1-CBD2	[ILVMAT-sel-1H-13C_methyls; U-15N; U-2H]	1 mM
2	potassium chloride	natural abundance	75 mM
3	potassium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.04 %

4 3D HNCACB

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
5	C-CBD1-CBD2	[U-100% 13C; U-100% 15N]	1 mM
6	potassium chloride	natural abundance	75 mM
7	potassium phosphate	natural abundance	20 mM
8	sodium azide	natural abundance	0.04 %

5 3D HCH-SFNOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-CBD1-CBD2	[ILVMAT-sel-1H-13C_methyls; U-15N; U-2H]	1 mM
2	potassium chloride	natural abundance	75 mM
3	potassium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.04 %

6 3D CNH-SFNOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-CBD1-CBD2	[ILVMAT-sel-1H-13C_methyls; U-15N; U-2H]	1 mM
2	potassium chloride	natural abundance	75 mM
3	potassium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.04 %

7 3D NCH-SFNOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-CBD1-CBD2	[ILVMAT-sel-1H-13C_methyls; U-15N; U-2H]	1 mM
2	potassium chloride	natural abundance	75 mM
3	potassium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.04 %

8 3D CCH-SFNOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-CBD1-CBD2	[ILVMAT-sel-1H-13C_methyls; U-15N; U-2H]	1 mM
2	potassium chloride	natural abundance	75 mM
3	potassium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.04 %

9 3D 1H-15N NOESY

Instrument

Bruker AVANCE NEO - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-CBD1-CBD2	[ILVMAT-sel-1H-13C_methyls; U-15N; U-2H]	1 mM
2	potassium chloride	natural abundance	75 mM
3	potassium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.04 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30637_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr30637_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	869		88.8 (chain: 1, length: 161)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 161, Sequence coverage: 88.8%
- Total number of assignments
  - ¹H chemical shifts: 426
  - ¹³C chemical shifts: 311
  - ¹⁵N chemical shifts: 132
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	908	230	25.3
¹³C chemical shifts	689	311	45.1
¹⁵N chemical shifts	166	132	79.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	335	132	39.4
¹³C chemical shifts	322	122	37.9
¹⁵N chemical shifts	146	132	90.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	573	98	17.1
¹³C chemical shifts	367	189	51.5
¹⁵N chemical shifts	20	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	107	98	91.6
¹³C chemical shifts	107	98	91.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	29	0	0.0
¹³C chemical shifts	29	0	0.0

Keywords CHAPERONE, Client Recognition

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Found 1 Document (0.881 seconds)

BMRB: 30637

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Related entities 1. Alkaline phosphatase,Chaperone protein DnaJ 2 (E.C.3.1.3.1), : 1 : 3 : 118 entities Detail

Experiments performed 9 experiments Detail

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Chemical shift validation 3 contents Detail