BMRBj - BMREntryMaster

Found 1 Document (1.1 seconds)

BMRB: 17948

2LJL

NMR structure of Hsp12 in the presence of DPC

Authors

Singarapu, K., Markley, J.

Assembly

Hsp12

Entity

1. Hsp12 (polymer, Thiol state: not present), 109 monomers, 11692.56 Da Detail

MSDAGRKGFG EKASEALKPD SQKSYAEQGK EYITDKADKV AGKVQPEDNK GVFQGVHDSA EKGKDNAEGQ GESLADQARD YMGAAKSKLN DAVEYVSGRV HGEEDPTKK

Formula weight

11692.56 Da

Source organism

Saccharomyces cerevisiae

Exptl. method

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 68.2 %, Completeness (bb): 80.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	68.2 % (816 of 1196)	75.3 % (475 of 631)	52.7 % (237 of 450)	90.4 % (104 of 115)
Backbone	80.7 % (523 of 648)	97.8 % (223 of 228)	62.7 % (197 of 314)	97.2 % (103 of 106)
Sidechain	59.3 % (382 of 644)	62.5 % (252 of 403)	55.6 % (129 of 232)	11.1 % (1 of 9)
Aromatic	0.0 % (0 of 60)	0.0 % (0 of 30)	0.0 % (0 of 30)
Methyl	94.6 % (70 of 74)	94.6 % (35 of 37)	94.6 % (35 of 37)

1. Hsp12

MSDAGRKGFG EKASEALKPD SQKSYAEQGK EYITDKADKV AGKVQPEDNK GVFQGVHDSA EKGKDNAEGQ GESLADQARD YMGAAKSKLN DAVEYVSGRV HGEEDPTKK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 200 mM DPC added

#	Name	Isotope labeling	Type	Concentration
1	Hsp12	[U-13C; U-15N]		0.7 mM
2	DPC	natural abundance		200 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2011-10-27

Citation

Structural characterization of Hsp12, the heat shock protein from Saccharomyces cerevisiae, in aqueous solution where it is intrinsically disordered and in detergent micelles where it is locally α-helical
Singarapu, K.K., Tonelli, M., Chow, D.C., Frederick, R.O., Westler, W.M., Markley, J.L.
J. Biol. Chem. (2011), 286, 43447-43453, PubMed 21998307 , DOI 10.1074/jbc.M111.306464 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 17482 released on 2011-10-25
    Title Structural Characterization of small heat shock protein (Hsp12)
  BMRB: 17483 released on 2011-10-25
    Title Structural characterization of small heat shock protein (Hsp12) in aqueous solution

Related entities 1. Hsp12, : 1 : 4 : 3 entities Detail

Interaction partners 1. Hsp12, : 104 interactors Detail

More details for 104 interactors identified by 4 citations

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 200 mM DPC added

#	Name	Isotope labeling	Type	Concentration
1	Hsp12	[U-13C; U-15N]		0.7 mM
2	DPC	natural abundance		200 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

2 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 200 mM DPC added

#	Name	Isotope labeling	Type	Concentration
1	Hsp12	[U-13C; U-15N]		0.7 mM
2	DPC	natural abundance		200 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

3 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 200 mM DPC added

#	Name	Isotope labeling	Type	Concentration
1	Hsp12	[U-13C; U-15N]		0.7 mM
2	DPC	natural abundance		200 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

4 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 200 mM DPC added

#	Name	Isotope labeling	Type	Concentration
1	Hsp12	[U-13C; U-15N]		0.7 mM
2	DPC	natural abundance		200 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

5 3D 1H-13C NOESY aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 200 mM DPC added

#	Name	Isotope labeling	Type	Concentration
1	Hsp12	[U-13C; U-15N]		0.7 mM
2	DPC	natural abundance		200 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

6 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 200 mM DPC added

#	Name	Isotope labeling	Type	Concentration
1	Hsp12	[U-13C; U-15N]		0.7 mM
2	DPC	natural abundance		200 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

7 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9, Details 200 mM DPC added

#	Name	Isotope labeling	Type	Concentration
1	Hsp12	[U-13C; U-15N]		0.7 mM
2	DPC	natural abundance		200 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17948_2ljl.nef
Input source #2: Coordindates	2ljl.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
MSDAGRKGFGEKASEALKPDSQKSYAEQGKEYITDKADKVAGKVQPEDNKGVFQGVHDSAEKGKDNAEGQGESLADQARDYMGAAKSKLNDAVEYVSGRV
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSDAGRKGFGEKASEALKPDSQKSYAEQGKEYITDKADKVAGKVQPEDNKGVFQGVHDSAEKGKDNAEGQGESLADQARDYMGAAKSKLNDAVEYVSGRV

---------
HGEEDPTKK
|||||||||
HGEEDPTKK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	109	0	0	100.0

Content subtype: combined_17948_2ljl.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	796		98.2 (chain: A, length: 109)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	403 (1)	noe	27.5 (chain: A, length: 109)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	Warning	52 (52)	.	25.7 (chain: A, length: 109)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 109, Sequence coverage: 98.2%
- Total number of assignments
  - ¹H chemical shifts: 471
  - ¹³C chemical shifts: 223
  - ¹⁵N chemical shifts: 102
- 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: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 109, Sequence coverage: 27.5%
- Total number of restraints: 403
- Weight of restraints: 1.0 (403)
- Potential type of restraints: upper-bound-parabolic (403)
- Range of distance target values: 2.08, 5.35 (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

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 109, Sequence coverage: 25.7%
- Total number of restraints: 52
- Total number of restraints per polymer type: 52
- Weight of restraints: 1.0 (52)
- Potential type of restraints: square-well-parabolic (52)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue

Keywords dpc, hsp12, nmr