BMRBj - BMREntryMaster

Found 1 Document (1.995 seconds)

BMRB: 18091

2LLW

Solution structure of the yeast Sti1 DP2 domain

Authors

Schmid, A.B., Lagleder, S., Graewert, M.A., Roehl, A., Hagn, F., Wandinger, S.K., Cox, M.B., Demmer, O., Richter, K., Groll, M., Kessler, H., Buchner, J.

Assembly

DP2

Entity

1. DP2 (polymer), 71 monomers, 7917.933 Da Detail

QPGTSNETPE ETYQRAMKDP EVAAIMQDPV MQSILQQAQQ NPAALQEHMK NPEVFKKIQT LIAAGIIRTG R

Formula weight

7917.933 Da

Source organism

Saccharomyces cerevisiae

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.6 %, Completeness (bb): 98.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.6 % (820 of 832)	98.9 % (436 of 441)	98.1 % (307 of 313)	98.7 % (77 of 78)
Backbone	98.6 % (408 of 414)	100.0 % (139 of 139)	97.1 % (204 of 210)	100.0 % (65 of 65)
Sidechain	98.8 % (480 of 486)	98.3 % (297 of 302)	100.0 % (171 of 171)	92.3 % (12 of 13)
Aromatic	100.0 % (22 of 22)	100.0 % (11 of 11)	100.0 % (11 of 11)
Methyl	100.0 % (74 of 74)	100.0 % (37 of 37)	100.0 % (37 of 37)

1. DP2

QPGTSNETPE ETYQRAMKDP EVAAIMQDPV MQSILQQAQQ NPAALQEHMK NPEVFKKIQT LIAAGIIRTG R

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
7	DP2	natural abundance		1 mM
8	potassium chloride	natural abundance		50 mM
9	potassium phosphate	natural abundance		50 mM
10	sodium azide	natural abundance		0.2 w/v
11	H2O	natural abundance		95 %
12	D2O	natural abundance		5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
13	DP2	[U-99% 15N]		0.5 mM
14	potassium chloride	natural abundance		50 mM
15	potassium phosphate	natural abundance		50 mM
16	sodium azide	natural abundance		0.2 w/v
17	H2O	natural abundance		95 %
18	D2O	natural abundance		5 %

LACS Plot; CA

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.19 ppm, Outliers: 5 Detail

LACS Plot; CO

Referencing offset: -0.25 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 21 models in PDB: 2LLW, Strand ID: A Detail

Release date

2012-01-10

Citation

The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop
Schmid, A.B., Lagleder, S., Grawert, M., Rohl, A., Hagn, F., Wandinger, S.K., Cox, M.B., Demmer, O., Richter, K., Groll, M., Kessler, H., Buchner, J.
EMBO J. (2012), 31, 1506-1517, PubMed 22227520 , DOI 10.1038/emboj.2011.472 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 18090 released on 2012-01-10
Title Solution structure of the yeast Sti1 DP1 domain

Related entities 1. DP2, : 1 : 2 : 61 entities Detail

Interaction partners 1. DP2, : 41 interactors Detail

More details for 41 interactors identified by 11 citations

Experiments performed 22 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
13	DP2	[U-99% 15N]		0.5 mM
14	potassium chloride	natural abundance		50 mM
15	potassium phosphate	natural abundance		50 mM
16	sodium azide	natural abundance		0.2 w/v
17	H2O	natural abundance		95 %
18	D2O	natural abundance		5 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

3 2D 1H-1H NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
7	DP2	natural abundance		1 mM
8	potassium chloride	natural abundance		50 mM
9	potassium phosphate	natural abundance		50 mM
10	sodium azide	natural abundance		0.2 w/v
11	H2O	natural abundance		95 %
12	D2O	natural abundance		5 %

4 3D HNCO

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

5 3D HN(CA)CO

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

6 3D HN(CO)CA

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

7 3D HNCA

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

8 3D CBCA(CO)NH

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

9 3D HNCACB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

10 3D C(CO)NH

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

11 3D HCCH-COSY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

12 3D HCCH-TOCSY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

13 3D HNHA

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

14 3D HNHB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

15 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
13	DP2	[U-99% 15N]		0.5 mM
14	potassium chloride	natural abundance		50 mM
15	potassium phosphate	natural abundance		50 mM
16	sodium azide	natural abundance		0.2 w/v
17	H2O	natural abundance		95 %
18	D2O	natural abundance		5 %

16 3D 1H-13C NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

17 3D CCH NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

18 3D CNH NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

19 3D NNH NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
13	DP2	[U-99% 15N]		0.5 mM
14	potassium chloride	natural abundance		50 mM
15	potassium phosphate	natural abundance		50 mM
16	sodium azide	natural abundance		0.2 w/v
17	H2O	natural abundance		95 %
18	D2O	natural abundance		5 %

20 2D HBCBCGCDHD

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

21 2D HBCBCGCDCEHE

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	DP2	[U-99% 13C; U-99% 15N]		0.5-3 mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	sodium azide	natural abundance		0.2 w/v
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

22 2D 1H-15N HSCQ-IPAP

Instrument

Bruker Avance - 900 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
13	DP2	[U-99% 15N]		0.5 mM
14	potassium chloride	natural abundance		50 mM
15	potassium phosphate	natural abundance		50 mM
16	sodium azide	natural abundance		0.2 w/v
17	H2O	natural abundance		95 %
18	D2O	natural abundance		5 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18091_2llw.nef
Input source #2: Coordindates	2llw.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

-520-----530-------540-------550-------560-------570-------580---------
QPGTSNETPEETYQRAMKDPEVAAIMQDPVMQSILQQAQQNPAALQEHMKNPEVFKKIQTLIAAGIIRTGR
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
QPGTSNETPEETYQRAMKDPEVAAIMQDPVMQSILQQAQQNPAALQEHMKNPEVFKKIQTLIAAGIIRTGR
--------10--------20--------30--------40--------50--------60--------70-

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	71	0	0	100.0

Content subtype: combined_18091_2llw.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	817		100.0 (chain: A, length: 71)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	583 (1)	noe	91.5 (chain: A, length: 71)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 434
  - ¹³C chemical shifts: 307
  - ¹⁵N chemical shifts: 76
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 91.5%
- Total number of restraints: 582
- Weight of restraints: 1.0 (582)
- Potential type of restraints: square-well-parabolic (582)
- Range of distance target values: 1.35, 7.55 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords Alpha helix, DP domain, Monomer, Protein, Solution NMR