BMRBj - BMREntryMaster

Found 1 Document (1.634 seconds)

BMRB: 7233

2H3S

Cis-Azobenzene-avian pancreatic polypeptide bound to DPC micelles and in water

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

ID	Type	Value order	Atom ID 1	Atom ID 2
1	peptide	sing	3:EAB1:N	1:GLY9:C
2	peptide	sing	3:EAB1:C	1:PRO2:N

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 26.5 %, Completeness: 22.1 %, Completeness (bb): 23.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	22.1 % (47 of 213)	22.1 % (47 of 213)
Backbone	23.4 % (15 of 64)	23.4 % (15 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	Concentration
1	Pancreatic hormone, 1	2 mM
2	Pancreatic hormone, 2	2 mM
3	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	2 mM
4	DPC	300 mM
5	MES buffer	50 mM
6	H2O	90 %
7	D2O	10 %

Chem. Shift Complete2

Sequence coverage: 70.6 %, Completeness: 49.1 %, Completeness (bb): 48.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	49.1 % (209 of 426)	49.1 % (209 of 426)
Backbone	48.4 % (62 of 128)	48.4 % (62 of 128)
Sidechain	49.3 % (147 of 298)	49.3 % (147 of 298)
Aromatic	50.0 % (23 of 46)	50.0 % (23 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	Concentration
1	Pancreatic hormone, 1	2 mM
2	Pancreatic hormone, 2	2 mM
3	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	2 mM
4	DPC	300 mM
5	MES buffer	50 mM
6	H2O	90 %
7	D2O	10 %

Chem. Shift Complete3

Sequence coverage: 2.9 %, Completeness: 33.5 %, Completeness (bb): 33.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	33.5 % (214 of 639)	33.5 % (214 of 639)
Backbone	33.3 % (64 of 192)	33.3 % (64 of 192)
Sidechain	33.6 % (150 of 447)	33.6 % (150 of 447)
Aromatic	33.3 % (23 of 69)	33.3 % (23 of 69)
Methyl	33.3 % (16 of 48)	33.3 % (16 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	Concentration
1	Pancreatic hormone, 1	2 mM
2	Pancreatic hormone, 2	2 mM
3	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	2 mM
4	DPC	300 mM
5	MES buffer	50 mM
6	H2O	90 %
7	D2O	10 %

Chem. Shift Complete4

Sequence coverage: 35.3 %, Completeness: 32.3 %, Completeness (bb): 33.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	32.3 % (275 of 852)	32.3 % (275 of 852)
Backbone	33.2 % (85 of 256)	33.2 % (85 of 256)
Sidechain	31.9 % (190 of 596)	31.9 % (190 of 596)
Aromatic	29.3 % (27 of 92)	29.3 % (27 of 92)
Methyl	29.7 % (19 of 64)	29.7 % (19 of 64)

1. Pancreatic hormone, 1

GPSQPTYPG

2. Pancreatic hormone, 2

PVEDLIRFYN DLQQYLNVVT RHRYX

Show sample condition

Sample

Pressure 1 atm, Temperature 295 K, pH 4.1

#	Name	Concentration
8	Pancreatic hormone, 1	2 mM
9	Pancreatic hormone, 2	2 mM
10	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	2 mM
11	acetate_buffer	20 mM
12	H2O	90 %
13	D2O	10 %

Chem. Shift Complete5

Sequence coverage: 70.6 %, Completeness: 40.8 %, Completeness (bb): 41.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	40.8 % (435 of 1065)	40.8 % (435 of 1065)
Backbone	41.2 % (132 of 320)	41.2 % (132 of 320)
Sidechain	40.7 % (303 of 745)	40.7 % (303 of 745)
Aromatic	39.1 % (45 of 115)	39.1 % (45 of 115)
Methyl	42.5 % (34 of 80)	42.5 % (34 of 80)

1. Pancreatic hormone, 1

GPSQPTYPG

2. Pancreatic hormone, 2

PVEDLIRFYN DLQQYLNVVT RHRYX

Show sample condition

Sample

Pressure 1 atm, Temperature 295 K, pH 4.1

#	Name	Concentration
8	Pancreatic hormone, 1	2 mM
9	Pancreatic hormone, 2	2 mM
10	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	2 mM
11	acetate_buffer	20 mM
12	H2O	90 %
13	D2O	10 %

Chem. Shift Complete6

Sequence coverage: 8.8 %, Completeness: 35.3 %, Completeness (bb): 35.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	35.3 % (451 of 1278)	35.3 % (451 of 1278)
Backbone	35.4 % (136 of 384)	35.4 % (136 of 384)
Sidechain	35.2 % (315 of 894)	35.2 % (315 of 894)
Aromatic	32.6 % (45 of 138)	32.6 % (45 of 138)
Methyl	36.5 % (35 of 96)	36.5 % (35 of 96)

1. Pancreatic hormone, 1

GPSQPTYPG

2. Pancreatic hormone, 2

PVEDLIRFYN DLQQYLNVVT RHRYX

Show sample condition

Sample

Pressure 1 atm, Temperature 295 K, pH 4.1

#	Name	Concentration
8	Pancreatic hormone, 1	2 mM
9	Pancreatic hormone, 2	2 mM
10	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	2 mM
11	acetate_buffer	20 mM
12	H2O	90 %
13	D2O	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2H3S, Strand ID: A, B Detail

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

nullKeywords photoswitch, pp folding

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Found 1 Document (1.634 seconds)

BMRB: 7233

Sample

Sample

Sample

Sample

Sample

Sample

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

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2