BMRB Entry 31030

Name: Site 2 insulin receptor binding peptide IM459N21
Published: 2022-11-04

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PDB ID: 8di2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31030
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Site 2 insulin receptor binding peptide IM459N21

Deposition date:

2022-06-28

Original release date:

2022-11-04

Authors:

Lawrence, M.; Hu, H.; Martinez, F.; Espinosa, J.

Citation:

Citation: Kirk, Nicholas; Chen, Qi; Wu, Yingzhe Ginger; Asante, Anastasia; Hu, Haitao; Espinosa, Juan; Martinez-Olid, Francisco; Margetts, Mai; Mohammed, Faiz; Kiselyov, Vladislav; Barrett, David; Lawrence, Michael. "Activation of the human insulin receptor by non-insulin-related peptides" Nat. Commun. 13, 5695-5695 (2022).
PubMed: 36171189

Assembly members:

Assembly members:
entity_1, polymer, 22 residues, 2630.088 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XSLEQEWXKIECEVYGKCPP KX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	84
1H chemical shifts	163

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 22 residues - 2630.088 Da.

1

BVK

SER

LEU

GLU

GLN

GLU

TRP

AIB

LYS

ILE

2

GLU

CYS

GLU

VAL

TYR

GLY

LYS

CYS

PRO

3

LYS

LYN

Samples:

sample_1: Tris, [U-2H], 20 mM; sodium chloride 100 mM; peptide 0.75 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1

Software:

GROMACS v5.0.7, Mark Abraham, Berk Hess, David van der Spoel, and Erik Lindahl - refinement, structure calculation

CcpNmr Analysis v2, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE III 600 MHz