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BMRB: 18090

2LLV

Solution structure of the yeast Sti1 DP1 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

DP1

Entity

1. DP1 (polymer), 71 monomers, 7928.201 Da Detail

QPDLGLTQLF ADPNLIENLK KNPKTSEMMK DPQLVAKLIG YKQNPQAIGQ DLFTDPRLMT IMATLMGVDL N

Formula weight

7928.201 Da

Source organism

Saccharomyces cerevisiae

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.5 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.5 % (831 of 852)	96.7 % (434 of 449)	98.2 % (321 of 327)	100.0 % (76 of 76)
Backbone	97.6 % (404 of 414)	97.1 % (136 of 140)	97.1 % (203 of 209)	100.0 % (65 of 65)
Sidechain	97.8 % (494 of 505)	96.4 % (298 of 309)	100.0 % (185 of 185)	100.0 % (11 of 11)
Aromatic	100.0 % (28 of 28)	100.0 % (14 of 14)	100.0 % (14 of 14)
Methyl	100.0 % (86 of 86)	100.0 % (43 of 43)	100.0 % (43 of 43)

1. DP1

QPDLGLTQLF ADPNLIENLK KNPKTSEMMK DPQLVAKLIG YKQNPQAIGQ DLFTDPRLMT IMATLMGVDL N

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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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	DP1	natural abundance		0.5 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	DP1	[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: 0.26 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.26 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.16 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 0.18 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 21 models in PDB: 2LLV, 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

Related entities 1. DP1, : 1 : 2 : 39 entities Detail

Interaction partners 1. DP1, : 41 interactors Detail

More details for 41 interactors identified by 11 citations

Experiments performed 23 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	DP1	[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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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-13C HSQC aromatic

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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 %

4 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	DP1	natural abundance		0.5 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 %

5 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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(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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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-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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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-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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 %

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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[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 %

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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 %

20 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	DP1	[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 %

21 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 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	DP1	[U-99% 13C; U-99% 15N]		0.5 ~ 3.0 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 %

23 2D 1H-15N HSQC-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	DP1	[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_18090_2llv.nef
Input source #2: Coordindates	2llv.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

---130-----140-------150-------160-------170-------180-------190-------
QPDLGLTQLFADPNLIENLKKNPKTSEMMKDPQLVAKLIGYKQNPQAIGQDLFTDPRLMTIMATLMGVDLN
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
QPDLGLTQLFADPNLIENLKKNPKTSEMMKDPQLVAKLIGYKQNPQAIGQDLFTDPRLMTIMATLMGVDLN
--------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_18090_2llv.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	845		100.0 (chain: A, length: 71)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1312 (1)	noe	100.0 (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: 448
  - ¹³C chemical shifts: 321
  - ¹⁵N chemical shifts: 76
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: 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: 100.0%
- Total number of restraints: 1309
- Weight of restraints: 1.0 (1309)
- Potential type of restraints: square-well-parabolic (1309)
- Range of distance target values: 1.35, 7.8 (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