BMRB Entry 19987

Name: Characterization and structure of the MIT1 domain of a chitin synthase from the Oomycete Saprolegnia monoica
Published: 2015-05-26

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PDB ID: 2mpk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19987
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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:

Characterization and structure of the MIT1 domain of a chitin synthase from the Oomycete Saprolegnia monoica

Deposition date:

2014-05-27

Original release date:

2015-05-26

Authors:

Bulone, Vincent; Szpryngiel, Scarlett; Brown, Christian; Ye, Weihua

Citation:

Citation: Bulone, Vincent; Maler, Lena; Brown, Christian; Szpryngiel, Scarlett; KUANG, Guanglin; SRIVASTAVA, Vaibhav; Ye, Weihua; Tu, Yaoquan. "Characterization and structure of the MIT domains of two chitin synthases from the Oomycete Saprolegnia monoica" Biochem. J. ., .-..

Assembly members:

Assembly members:
SmChs_MIT1, polymer, 74 residues, 8527.742 Da.

Natural source:

Natural source: Common Name: oomycetes Taxonomy ID: 37553 Superkingdom: Eukaryota Kingdom: not available Genus/species: Saprolegnia monoica

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-28a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SmChs_MIT1: MGTIDDAFRAIERAIQAENE GRYREALKHFLDGGEMIVTA AEKEASQKVRNLLLHKGKEV LEWAEHLAEWILEH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	278
15N chemical shifts	73
1H chemical shifts	494

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SmChs MIT1	1

Entities:

Entity 1, SmChs MIT1 74 residues - 8527.742 Da.

1

MET

GLY

THR

ILE

ASP

ALA

PHE

ARG

ALA

2

ILE

GLU

ARG

ALA

ILE

GLN

ALA

GLU

ASN

GLU

3

GLY

ARG

TYR

ARG

GLU

ALA

LEU

LYS

HIS

PHE

4

LEU

ASP

GLY

GLU

MET

ILE

VAL

THR

ALA

5

ALA

GLU

LYS

GLU

ALA

SER

GLN

LYS

VAL

ARG

6

ASN

LEU

HIS

LYS

GLY

LYS

GLU

VAL

7

LEU

GLU

TRP

ALA

GLU

HIS

LEU

ALA

GLU

TRP

8

ILE

LEU

GLU

HIS

Samples:

sample_1: SmChs_MIT1, [U-100% 13C; U-100% 15N], 0.3 – 1.0 mM; D2O 10%; sodium phosphate 50 mM; sodium chloride 150 mM; H2O 90%

sample_conditions_1: ionic strength: 200 mM; pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

TOPSPIN, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

ProcheckNMR, Laskowski and MacArthur - data analysis

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz
Bruker Avance 500 MHz

PDB	2MPK
GB	ADE62520 EQC35650 KDO24422
REF	XP_008610967 XP_012204852