BMRB Entry 7232

Name: Trans-(4-aminomethyl)phenylazobenzoic acid-aPP bound to DPC micelles
Published: 2006-10-19

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PDB ID: 2h3t
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7232
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2006-07-14

Original release date:

2006-10-19

Authors:

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

Citation:

Citation: Jurt, S.; Aemissegger, A.; Guentert, P.; Zerbe, O.; Hilvert, D.. "A Photoswitchable Miniprotein based on the Sequence of Avian Pancreatic Polypeptide" Angew Chem. Int. Ed. Engl. 45, 6297-6300 (2006).
PubMed: 16933352

Assembly members:

Assembly members:
Pancreatic hormone, 1, polymer, 9 residues, Formula weight is not available
Pancreatic hormone, 2, polymer, 25 residues, Formula weight is not available
EAB, non-polymer, 269.299 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Pancreatic hormone, 1: GPSQPTYPG
Pancreatic hormone, 2: PVEDLIRFYNDLQQYLNVVT RHRYX

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	251

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Pancreatic hormone, 1	1
2	Pancreatic hormone, 2	2
3	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	3

Entities:

Entity 1, Pancreatic hormone, 1 9 residues - Formula weight is not available

1

GLY

PRO

SER

GLN

PRO

THR

TYR

PRO

GLY

Entity 2, Pancreatic hormone, 2 25 residues - Formula weight is not available

1

PRO

VAL

GLU

ASP

LEU

ILE

ARG

PHE

TYR

ASN

2

ASP

LEU

GLN

TYR

LEU

ASN

VAL

THR

3

ARG

HIS

ARG

TYR

NH2

Entity 3, (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID - C15 H15 N3 O2 - 269.299 Da.

1

EAB

Samples:

sample_1: Pancreatic hormone, 1 2 mM; Pancreatic hormone, 2 2 mM; (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID 2 mM; DPC 300 mM; MES buffer 50 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 50.0 mM; pH: 6.0; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	not available	sample_cond_1
2D TOCSY	sample_1	not available	sample_cond_1

Software:

CYANA v2.2.2 - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 700 MHz