BMRB: 7232

Trans-(4-aminomethyl)phenylazobenzoic acid-aPP bound to DPC micelles

Authors

Jurt, S., Aemissegger, A., Guentert, P., Zerbe, O., Hilvert, D.

Assembly

Pancreatic hormone

Entity

1. Pancreatic hormone, 1 (polymer, Thiol state: not present), 9 monomers, 902.9468 Da Detail

GPSQPTYPG

2. Pancreatic hormone, 2 (polymer, Thiol state: not present), 25 monomers, 3050.408 Da Detail

PVEDLIRFYN DLQQYLNVVT RHRYX

3. EAB (non-polymer), 269.299 Da

Total weight

4222.654 Da

Max. entity weight

3050.408 Da

Entity Connection

peptide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	peptide	sing	3:EAB1:N	2:GLY9:C
2	peptide	sing	3:EAB1:C	2:PRO1:N

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 23.5 %, Completeness: 21.6 %, Completeness (bb): 21.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	21.6 % (46 of 213)	21.6 % (46 of 213)
Backbone	21.9 % (14 of 64)	21.9 % (14 of 64)
Sidechain	21.5 % (32 of 149)	21.5 % (32 of 149)
Aromatic	17.4 % (4 of 23)	17.4 % (4 of 23)
Methyl	6.3 % (1 of 16)	6.3 % (1 of 16)

1. Pancreatic hormone, 1

GPSQPTYPG

2. Pancreatic hormone, 2

PVEDLIRFYN DLQQYLNVVT RHRYX

Show sample condition

Sample

Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Pancreatic hormone, 1			2 mM
2	Pancreatic hormone, 2			2 mM
3	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID			2 mM
4	DPC			300 mM
5	MES buffer			50 mM
6	H2O			90 %
7	D2O			10 %

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 70.6 %, Completeness: 48.4 %, Completeness (bb): 46.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	48.4 % (206 of 426)	48.4 % (206 of 426)
Backbone	46.9 % (60 of 128)	46.9 % (60 of 128)
Sidechain	49.0 % (146 of 298)	49.0 % (146 of 298)
Aromatic	47.8 % (22 of 46)	47.8 % (22 of 46)
Methyl	50.0 % (16 of 32)	50.0 % (16 of 32)

1. Pancreatic hormone, 1

GPSQPTYPG

2. Pancreatic hormone, 2

PVEDLIRFYN DLQQYLNVVT RHRYX

Show sample condition

Sample

Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Pancreatic hormone, 1			2 mM
2	Pancreatic hormone, 2			2 mM
3	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID			2 mM
4	DPC			300 mM
5	MES buffer			50 mM
6	H2O			90 %
7	D2O			10 %

Hide sample codition

Chem. Shift Complete3

Sequence coverage: 5.9 %, Completeness: 33.3 %, Completeness (bb): 32.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	33.3 % (213 of 639)	33.3 % (213 of 639)
Backbone	32.8 % (63 of 192)	32.8 % (63 of 192)
Sidechain	33.6 % (150 of 447)	33.6 % (150 of 447)
Aromatic	31.9 % (22 of 69)	31.9 % (22 of 69)
Methyl	39.6 % (19 of 48)	39.6 % (19 of 48)

1. Pancreatic hormone, 1

GPSQPTYPG

2. Pancreatic hormone, 2

PVEDLIRFYN DLQQYLNVVT RHRYX

Show sample condition

Sample

Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Pancreatic hormone, 1			2 mM
2	Pancreatic hormone, 2			2 mM
3	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID			2 mM
4	DPC			300 mM
5	MES buffer			50 mM
6	H2O			90 %
7	D2O			10 %

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 2H3T, Strand ID: A, B Detail

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Release date

2006-10-18

Citation

A photoswitchable miniprotein based on the sequence of avian pancreatic polypeptide
Jurt, S., Aemissegger, A., Guentert, P., Zerbe, O., Hilvert, D.
Angew. Chem Int Ed Engl. (2006), 45, 6297-6300, PubMed 16933352 , DOI 10.1002/anie.200602084 , Abstract

Related entities 1. Pancreatic hormone, 1, : 1 : 4 entities Detail

Related entities 2. Pancreatic hormone, 2, : 1 : 5 : 88 entities Detail

Experiments performed 2 experiments Detail