BMRB Entry 52188

Name: Synthetic Ramoplanin A2 Analogue
Published: 2023-12-27

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PDB ID: 8v4b
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52188
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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:

Synthetic Ramoplanin A2 Analogue

Deposition date:

2023-10-23

Original release date:

2023-12-27

Authors:

Swarbrick, James; Marschall, Edward; McKay, Alasdiar; Cryle, Max; Tailhades, Tulien

Citation:

Citation: Marschall, Edward; Rachel, Cass; Komal, Prasad; James, Swarbrick; Alasdair, McKay; Payne, Jennifer; Cryle, Max; Tailhades, Julien. "Synthetic ramoplanin analogues are accessible by effective incorporation of arylglycines in solid-phase peptide synthesis" Chem. Sci. 15, 195-203 (2023).
PubMed: 38131086

Assembly members:

Assembly members:
entity_1, polymer, 18 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Actinoplanes Taxonomy ID: 1865 Superkingdom: Bacteria Kingdom: not available Genus/species: Actinoplanes not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XNXXXXXXTFXXXXGLXX

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	74
1H chemical shifts	351

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ramoplanin analog	1

Entities:

Entity 1, Ramoplanin analog 18 residues - Formula weight is not available

1

6NA

ASN

DPP

DGH

ORD

DTH

D4P

DGH

THR

PHE

2

ORD

D4P

DTH

D4P

GLY

LEU

DAL

D4P

Samples:

sample_1: Ramoplanin analog 4 mM; Acetate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 4.5; pressure: 1 atm; temperature: 313 K

sample_conditions_2: ionic strength: 10 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K

sample_conditions_3: ionic strength: 10 mM; pH: 4.5; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
1D 1H	sample_1	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_2
1D 1H	sample_1	isotropic	sample_conditions_3
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_3
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_3
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 13C H2BC	sample_1	isotropic	sample_conditions_1
2D 13C HMBC	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection

TOPSPIN - processing

NMRPipe - processing

XEASY - chemical shift assignment

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 600 MHz