BMRBj - BMREntryMaster

Found 1 Document (2.22 seconds)

BMRB: 16070

4GWV

Apo Pin1 WW Domain

Authors

Kowalski, J.A., Liu, K., Kelly, J.W.

Assembly

Pin1 WW

Entity

1. Pin1 WW (polymer, Thiol state: not present), 36 monomers, 4167.584 Da Detail

GSKLPPGWEK RMSRSSGRVY YFNHITNASQ WERPSG

Formula weight

4167.584 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.7 %, Completeness: 76.9 %, Completeness (bb): 90.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	76.9 % (176 of 229)	76.9 % (176 of 229)
Backbone	90.4 % (66 of 73)	90.4 % (66 of 73)
Sidechain	70.5 % (110 of 156)	70.5 % (110 of 156)
Aromatic	81.5 % (22 of 27)	81.5 % (22 of 27)
Methyl	100.0 % (8 of 8)	100.0 % (8 of 8)

1. Pin1 WW

GSKLPPGWEK RMSRSSGRVY YFNHITNASQ WERPSG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2, Details pH 6.2

#	Name	Isotope labeling	Concentration
1	Pin1_WW	natural abundance	1.0-1.2 mM
2	potassium phosphate	natural abundance	50 mM
3	sodium azide	natural abundance	0.02 % v/v
4	DSS	natural abundance	trace %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2, Details pH 6.2

#	Name	Isotope labeling	Concentration
7	Pin1_WW	natural abundance	1.0-1.2 mM
8	potassium phosphate	natural abundance	50 mM
9	sodium azide	natural abundance	0.02 % v/v
10	DSS	natural abundance	trace %
11	D2O	natural abundance	100 %

Release date

2009-03-02

Citation

NMR solution structure of the isolated Apo Pin1 WW domain: comparison to the x-ray crystal structures of Pin1
Kowalski, J.A., Liu, K., Kelly, J.W.
Biopolymers (2002), 63, 111-121, PubMed 11786999 , DOI 10.1002/bip.10020 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 16088 released on 2009-03-05
    Title Apo Pin1 WW Domain
  BMRB: 5248 released on 2002-02-04
    Title NMR Solution Structure of the Isolated Apo Pin1 WW Domain: Comparison to the X-Ray Crystal Structures of Pin 1

Related entities 1. Pin1 WW, : 1 : 2 : 61 : 393 entities Detail

Interaction partners 1. Pin1 WW, : 141 interactors Detail

More details for 141 interactors identified by 38 citations

Experiments performed 6 experiments Detail

1 2D DQF-COSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2, Details pH 6.2

#	Name	Isotope labeling	Concentration
1	Pin1_WW	natural abundance	1.0-1.2 mM
2	potassium phosphate	natural abundance	50 mM
3	sodium azide	natural abundance	0.02 % v/v
4	DSS	natural abundance	trace %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 2D 1H-1H TOCSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2, Details pH 6.2

#	Name	Isotope labeling	Concentration
1	Pin1_WW	natural abundance	1.0-1.2 mM
2	potassium phosphate	natural abundance	50 mM
3	sodium azide	natural abundance	0.02 % v/v
4	DSS	natural abundance	trace %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

3 2D 1H-1H NOESY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2, Details pH 6.2

#	Name	Isotope labeling	Concentration
1	Pin1_WW	natural abundance	1.0-1.2 mM
2	potassium phosphate	natural abundance	50 mM
3	sodium azide	natural abundance	0.02 % v/v
4	DSS	natural abundance	trace %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

4 2D DQF-COSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2, Details pH 6.2

#	Name	Isotope labeling	Concentration
7	Pin1_WW	natural abundance	1.0-1.2 mM
8	potassium phosphate	natural abundance	50 mM
9	sodium azide	natural abundance	0.02 % v/v
10	DSS	natural abundance	trace %
11	D2O	natural abundance	100 %

5 2D 1H-1H TOCSY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2, Details pH 6.2

#	Name	Isotope labeling	Concentration
7	Pin1_WW	natural abundance	1.0-1.2 mM
8	potassium phosphate	natural abundance	50 mM
9	sodium azide	natural abundance	0.02 % v/v
10	DSS	natural abundance	trace %
11	D2O	natural abundance	100 %

6 2D 1H-1H NOESY

Instrument

Bruker AMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.2, Details pH 6.2

#	Name	Isotope labeling	Concentration
7	Pin1_WW	natural abundance	1.0-1.2 mM
8	potassium phosphate	natural abundance	50 mM
9	sodium azide	natural abundance	0.02 % v/v
10	DSS	natural abundance	trace %
11	D2O	natural abundance	100 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16070_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: bmr16070_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	200		91.7 (chain: 1, length: 36)
1	Chemical shift references	chemical_shift_reference_1	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 36, Sequence coverage: 91.7%
- Total number of assignments
  - ¹H chemical shifts: 200
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
11	ARG	HH11	6.233
11	ARG	HH12	6.233
11	ARG	HH21	6.367
11	ARG	HH22	6.367
18	ARG	HH11	6.007
18	ARG	HH12	6.007
18	ARG	HH21	6.127
18	ARG	HH22	6.127
24	HIS	HD1	7.168

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	229	175	76.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	73	66	90.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	156	109	69.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	9	8	88.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	27	22	81.5

Keywords isomerase, peptidylprolyl isomerase, Pin1, WW domain

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Found 1 Document (2.22 seconds)

BMRB: 16070

Sample #1

Sample #2

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. Pin1 WW, : 1 : 2 : 61 : 393 entities Detail

Interaction partners 1. Pin1 WW, : 141 interactors Detail

Experiments performed 6 experiments Detail

Instrument

Sample

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Sample

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Instrument

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Sample

Chemical shift validation 3 contents Detail