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Found 1 Document (0.542 seconds)

BMRB: 19503

2MDU

Circular Permutant of the WW Domain with Loop 1 Excised

Authors

Kier, B.L.

Assembly

WW Domain with Loop 1 Excised

Entity

1. WW Domain with Loop 1 Excised (polymer, Thiol state: not present), 29 monomers, 3785.322 Da Detail

RWFYFNRITG KRQFERPKGL VKGWEKRWD

Formula weight

3785.322 Da

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.3 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	96.3 % (211 of 219)	96.3 % (211 of 219)
Backbone	98.3 % (59 of 60)	98.3 % (59 of 60)
Sidechain	95.6 % (152 of 159)	95.6 % (152 of 159)
Aromatic	100.0 % (37 of 37)	100.0 % (37 of 37)
Methyl	100.0 % (7 of 7)	100.0 % (7 of 7)

1. entity

RWFYFNRITG KRQFERPKGL VKGWEKRWD

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 280 K, pH 6.5, Details 50 mM phosphate buffer, pH 6.5, with DSS standard

#	Name	Isotope labeling	Concentration
1	WW Domain with Loop 1 Excised	natural abundance	1.2 mM
2	sodium phosphate	natural abundance	50 mM
3	DSS	natural abundance	0.5 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 22 models in PDB: 2MDU, Strand ID: A Detail

Release date

2014-01-12

Citation

Circular permutation of a WW domain: folding still occurs after excising the turn of the folding-nucleating hairpin
Kier, B.L., Anderson, J.M., Andersen, N.H.
J. Am. Chem. Soc. (2014), 136, 741-749, PubMed 24350581 , DOI 10.1021/ja410824x , Abstract

Related entities 1. WW Domain with Loop 1 Excised, : 1 : 18 entities Detail

Experiments performed 2 experiments Detail

NMR combined restraints 2 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts	combined_19503_2mdu.nef
Input source #2: Coordindates	2mdu.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	Error

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---------
RWFYFNRITGKRQFERPKGLVKGWEKRWD
|||||||||||||||||||||||||||||
RWFYFNRITGKRQFERPKGLVKGWEKRWD

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	29	0	0	100.0

Content subtype: combined_19503_2mdu.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	211		100.0 (chain: A, length: 29)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 211
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	219	211	96.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	59	98.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	159	152	95.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	7	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	37	100.0

Keywords Circular Permutation, Dynamics, Folding, Miniprotein, Pin1, WW Domain

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Found 1 Document (0.542 seconds)

BMRB: 19503

Sample

Related entities 1. WW Domain with Loop 1 Excised, : 1 : 18 entities Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

NMR combined restraints 2 contents Detail