BMRBj - BMREntryMaster

Found 1 Document (0.78 seconds)

BMRB: 18447

2LSV

NMR high resolution structures of free Tah1 and Tah1 bound to the Hsp90 C-terminal tail explain how Hsp90 recognizes the R2TP complex

Authors

BACK, R., DOMINGUEZ, C., ROTHE, B., BOBO, C., BEAUFILS, C., MORERA, S., MEYER, P., CHARPENTIER, B., BRANLANT, C., ALLAIN, F., MANIVAL, X.

Assembly

yeast Tah1 in complex with the Hsp90 C-terminal tail

Entity

1. yeast Tah1 in complex with the Hsp90 C-terminal tail, entity 1 (polymer, Thiol state: all free), 110 monomers, 12379.83 Da Detail

SQFEKQKEQG NSLFKQGLYR EAVHCYDQLI TAQPQNPVGY SNKAMALIKL GEYTQAIQMC QQGLRYTSTA EHVAIRSKLQ YRLELAQGAV GSVQIPVVEV DELPEGYDRS

2. yeast Tah1 in complex with the Hsp90 C-terminal tail, entity 2 (polymer, Thiol state: not present), 9 monomers, 1038.040 Da Detail

ADTEMEEVD

Total weight

13417.87 Da

Max. entity weight

12379.83 Da

Source organism

Saccharomyces cerevisiae

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 84.7 %, Completeness (bb): 80.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.7 % (1170 of 1381)	94.6 % (683 of 722)	69.6 % (367 of 527)	90.9 % (120 of 132)
Backbone	80.3 % (567 of 706)	97.5 % (236 of 242)	64.8 % (226 of 349)	91.3 % (105 of 115)
Sidechain	89.4 % (703 of 786)	93.1 % (447 of 480)	83.4 % (241 of 289)	88.2 % (15 of 17)
Aromatic	71.4 % (60 of 84)	92.9 % (39 of 42)	50.0 % (21 of 42)
Methyl	95.2 % (120 of 126)	98.4 % (62 of 63)	92.1 % (58 of 63)

1. entity 1

SQFEKQKEQG NSLFKQGLYR EAVHCYDQLI TAQPQNPVGY SNKAMALIKL GEYTQAIQMC QQGLRYTSTA EHVAIRSKLQ YRLELAQGAV GSVQIPVVEV DELPEGYDRS

2. entity 2

ADTEMEEVD

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
7	entity_1	[U-100% 13C; U-100% 15N]	1 mM
8	entity_2	natural abundance	1 mM
9	sodium phosphate	natural abundance	10 mM
10	sodium chloride	natural abundance	150 mM
11	D2O	natural abundance	100 %

Protein Blocks Logo

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

Release date

2013-05-19

Citation

High-resolution structural analysis shows how Tah1 tethers Hsp90 to the R2TP complex
Back, R., Dominguez, C., Rothe, B., Bobo, C., Beaufils, C., Morera, S., Meyer, P., Charpentier, B., Branlant, C., Allain, F., Manival, X.
Structure (2013), 21, 1834-1847, PubMed 24012479 , DOI 10.1016/j.str.2013.07.024 , Abstract

Related entities 1. yeast Tah1 in complex with the Hsp90 C-terminal tail, entity 1, : 2 : 27 entities Detail

Experiments performed 20 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVIII - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 3D HNCA

Instrument

Bruker AVIII - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

3 2D 1H-13C HSQC

Instrument

Bruker AVIII - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

4 3D H(CCO)NH

Instrument

Bruker AVIII - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

5 2D F1-filtered, F2-filtered NOESY

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

6 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

7 3D 13C F1-filtered, F3 edited NOESY

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

8 3D 15N F1-filtered, F2 edited NOESY

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

9 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
7	entity_1	[U-100% 13C; U-100% 15N]	1 mM
8	entity_2	natural abundance	1 mM
9	sodium phosphate	natural abundance	10 mM
10	sodium chloride	natural abundance	150 mM
11	D2O	natural abundance	100 %

10 2D 1H-13C HSQC aromatic

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
7	entity_1	[U-100% 13C; U-100% 15N]	1 mM
8	entity_2	natural abundance	1 mM
9	sodium phosphate	natural abundance	10 mM
10	sodium chloride	natural abundance	150 mM
11	D2O	natural abundance	100 %

11 2D F1-filtered, F2-filtered NOESY

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
7	entity_1	[U-100% 13C; U-100% 15N]	1 mM
8	entity_2	natural abundance	1 mM
9	sodium phosphate	natural abundance	10 mM
10	sodium chloride	natural abundance	150 mM
11	D2O	natural abundance	100 %

12 2D 13C F1-filtered, F2-edited NOESY

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
7	entity_1	[U-100% 13C; U-100% 15N]	1 mM
8	entity_2	natural abundance	1 mM
9	sodium phosphate	natural abundance	10 mM
10	sodium chloride	natural abundance	150 mM
11	D2O	natural abundance	100 %

13 3D 13C F1-filtered, F3-edited NOESY aliphatic

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
7	entity_1	[U-100% 13C; U-100% 15N]	1 mM
8	entity_2	natural abundance	1 mM
9	sodium phosphate	natural abundance	10 mM
10	sodium chloride	natural abundance	150 mM
11	D2O	natural abundance	100 %

14 3D 13C F1-filtered, F3-edited NOESY aromatic

Instrument

Bruker AVIII - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
7	entity_1	[U-100% 13C; U-100% 15N]	1 mM
8	entity_2	natural abundance	1 mM
9	sodium phosphate	natural abundance	10 mM
10	sodium chloride	natural abundance	150 mM
11	D2O	natural abundance	100 %

15 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

16 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

17 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

18 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

19 2D F1-filterd, F2-filtered TOCSY

Instrument

Bruker AVIII - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

20 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18447_2lsv.nef
Input source #2: Coordindates	2lsv.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-------10--------20--------30--------40--------50--------60--------70--------80--------90-------100-
SQFEKQKEQGNSLFKQGLYREAVHCYDQLITAQPQNPVGYSNKAMALIKLGEYTQAIQMCQQGLRYTSTAEHVAIRSKLQYRLELAQGAVGSVQIPVVEV
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SQFEKQKEQGNSLFKQGLYREAVHCYDQLITAQPQNPVGYSNKAMALIKLGEYTQAIQMCQQGLRYTSTAEHVAIRSKLQYRLELAQGAVGSVQIPVVEV
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

------110-
DELPEGYDRS
||||||||||
DELPEGYDRS
-------110

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

---------
ADTEMEEVD
|||||||||
ADTEMEEVD

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	110	0	0	100.0
B	B	9	0	0	100.0

Content subtype: combined_18447_2lsv.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1147		98.2 (chain: A, length: 110), 100.0 (chain: B, length: 9)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	3040 (1)	noe	98.2 (chain: A, length: 110), 100.0 (chain: B, length: 9)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 110, Sequence coverage: 98.2%
  - Entity_assembly_ID: B, Chain length: 9, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 682
  - ¹³C chemical shifts: 346
  - ¹⁵N chemical shifts: 119
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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: A
  - Chain_ID: B

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	677	637	94.1
¹³C chemical shifts	492	346	70.3
¹⁵N chemical shifts	128	119	93.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	224	219	97.8
¹³C chemical shifts	220	108	49.1
¹⁵N chemical shifts	106	104	98.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	453	418	92.3
¹³C chemical shifts	272	238	87.5
¹⁵N chemical shifts	22	15	68.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	58	95.1
¹³C chemical shifts	61	58	95.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	42	39	92.9
¹³C chemical shifts	42	21	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	45	43	95.6
¹³C chemical shifts	35	0	0.0
¹⁵N chemical shifts	9	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	16	88.9
¹³C chemical shifts	18	0	0.0
¹⁵N chemical shifts	9	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	27	27	100.0
¹³C chemical shifts	17	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	5	100.0
¹³C chemical shifts	5	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 110, Sequence coverage: 98.2%
  - Entity_assembly_ID: B, Chain length: 9, Sequence coverage: 100.0%
- Total number of restraints: 3040
- Weight of restraints: 1.0 (3040)
- Potential type of restraints: upper-bound-parabolic (3040)
- Range of distance target values: 2.4, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map

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Found 1 Document (0.78 seconds)

BMRB: 18447

Sample #1

Sample #2

Related entities 1. yeast Tah1 in complex with the Hsp90 C-terminal tail, entity 1, : 2 : 27 entities Detail

Experiments performed 20 experiments Detail

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NMR combined restraints 3 contents Detail