BMRB Entry 4993

Name: Spatial structure of Zervamicin IIB bound to DPC micelles.
Published: 2002-04-04

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PDB ID: 1ih9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4993
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: Spatial structure of Zervamicin IIB bound to DPC micelles.

Deposition date: 2001-04-20 Original release date: 2002-04-04

Authors: Shenkarev, Zakhar; Balashova, Tamara; Efremov, Roman; Yakimenko, Zoya; Ovchinnikova, Tatyana; Raap, Jan; Arseniev, Alexander

Citation: Shenkarev, Zakhar; Balashova, Tamara; Efremov, Roman; Yakimenko, Zoya; Ovchinnikova, Tatyana; Raap, Jan; Arseniev, Alexander. "Spatial Structure of Zervamicin IIB bound to DPC Micelles: Implications for Voltage-gating" Biophys. J. 82, 762-771 (2002).

Assembly members:
Zervamicin IIB, polymer, 17 residues, 1838 Da.

Natural source: Common Name: Emericellopsis salmosynnemata Taxonomy ID: 118885 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Emericellopsis salmosynnemata

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):
Zervamicin IIB: XWIQXITXLXXQXXXPX

Data sets:

assigned_chemical_shifts
- shift_set_1
coupling_constants
- J_values_set_1

Data type	Count
13C chemical shifts	56
15N chemical shifts	16
1H chemical shifts	127
coupling constants	8

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Zervamicin IIB	1

Entities:

Entity 1, Zervamicin IIB 17 residues - 1838 Da.

1

ACE

TRP

ILE

GLN

DIV

ILE

THR

AIB

LEU

AIB

2

HYP

GLN

AIB

HYP

AIB

PRO

PHL

Samples:

Sample_1: Zervamicin IIB 1.8 mM; DPC 70 mM

Ex-cond_1: pH: 6.8; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	Sample_1	not available	Ex-cond_1
2D 1H-1H NOESY	Sample_1	not available	Ex-cond_1
2D 1H-1H DQF-COSY	Sample_1	not available	Ex-cond_1

Software:

VNMR v5.3 - aquisition, processing

XEASY v2.1 - assignment, integration

DYANA v1.5 - structure calculation

DISCOVER vINSIGHT II/95 - refinement

NMR spectrometers:

Varian Unity 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts