BMRB Entry 34957

Name: Cdc42 binding peptide (W14A) with homocysteine
Published: 2026-01-18

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PDB ID: 9grl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34957
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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:

Cdc42 binding peptide (W14A) with homocysteine

Deposition date:

2024-09-11

Original release date:

2026-01-18

Authors:

Mott, H.; Owen, D.; Murphy, N.

Citation:

Citation: Murphy, N.; Tetley, G.; Revell, J.; Mott, H.; Owen, D.. "Cyclized peptide inhibitors of the small G protein Cdc42 mimic binding of effector proteins" To be published ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 16 residues, 1955.269 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: PSIXHVHRPDWPCAYR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	105

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 16 residues - 1955.269 Da.

1

PRO

SER

ILE

HCS

HIS

VAL

HIS

ARG

PRO

ASP

2

TRP

PRO

CYS

ALA

TYR

ARG

Samples:

sample_1: peptide 3 ± 0.3 mM; sodium phosphate 50 ± 0.1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D TOCSY	sample_1	isotropic	sample_conditions_1
2D NOESY	sample_1	isotropic	sample_conditions_1

Software:

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker AVANCE 800 MHz