BMRB Entry 25967

Name: Solution structure of ZitP zinc finger
Published: 2016-12-15

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PDB ID: 2nb9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25967
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of ZitP zinc finger PubMed: 28008852

Deposition date: 2016-02-01 Original release date: 2016-12-15

Authors: Campagne, Sebastien; Berge, Matthieu; Viollier, Patrick; Allain, Frederic

Citation: Berge, Matthieu; Campagne, Sebastien; Mignolet, Johann; Holden, Seamus; Theraulaz, Laurence; Manley, Suliana; Allain, Frederic H-T; Viollier, Patrick. "Modularity and determinants of a (bi-)polarization control system from free-living and obligate intracellular bacteria" eLife 5, e20640-e20640 (2016).

Assembly members:
entity_1, polymer, 49 residues, 5499.318 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source: Common Name: Caulobacter crescentus Taxonomy ID: 155892 Superkingdom: Bacteria Kingdom: not available Genus/species: Caulobacter crescentus

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pSC-ZitP

Entity Sequences (FASTA):
entity_1: MILTCPECASRYFVDDSKVG PDGRVVRCASCGNRWTAFKD EAELELVPR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	164
15N chemical shifts	43
1H chemical shifts	274

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	ZINC ION	2

Entities:

Entity 1, entity_1 49 residues - 5499.318 Da.

1

MET

ILE

LEU

THR

CYS

PRO

GLU

CYS

ALA

SER

2

ARG

TYR

PHE

VAL

ASP

SER

LYS

VAL

GLY

3

PRO

ASP

GLY

ARG

VAL

ARG

CYS

ALA

SER

4

CYS

GLY

ASN

ARG

TRP

THR

ALA

PHE

LYS

ASP

5

GLU

ALA

GLU

LEU

GLU

LEU

VAL

PRO

ARG

Entity 2, ZINC ION - 65.409 Da.

1

ZN

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 1 mM; ZINC ION 1 mM; NaPO4 10 mM; NaCl 50 mM; DTT 10 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.0, Bruker Biospin - collection

XEASY, Bartels et al. - chemical shift assignment, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 900 MHz

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