BMRB Entry 17405

Name: IPSE/alpha-1
Published: 2011-05-03

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PDB ID: 4aka
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17405
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3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

IPSE/alpha-1

Deposition date:

2011-01-11

Original release date:

2011-05-03

Authors:

Meyer, N. Helge; Sattler, Michael

Citation:

Citation: Meyer, N. Helge; Schramm, Gabriele; Sattler, Michael. "1H, 13C and 15N chemical shift assignments of IPSENLS." Biomol. NMR Assignments 5, 225-227 (2011).
PubMed: 21516468

Assembly members:

Assembly members:
IPSE/alpha-1, polymer, 106 residues, 11967 Da.

Natural source:

Natural source: Common Name: Flatworm Taxonomy ID: 6183 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Schistosoma mansoni

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet

Entity Sequences (FASTA):

Entity Sequences (FASTA):
IPSE/alpha-1: GADSCKYCLQLYDETYERGS YIEVYKSVGSLSPPWTPGSV CVPFVNDTKRERPYWYLFDN VNYTGRITGLGHGTCIDDFT KSGFKGISSIKRCIQTKDGK VECINQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	475
15N chemical shifts	102
1H chemical shifts	716

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	IPSE	1

Entities:

Entity 1, IPSE 106 residues - 11967 Da.

1

GLY

ALA

ASP

SER

CYS

LYS

TYR

CYS

LEU

GLN

2

LEU

TYR

ASP

GLU

THR

TYR

GLU

ARG

GLY

SER

3

TYR

ILE

GLU

VAL

TYR

LYS

SER

VAL

GLY

SER

4

LEU

SER

PRO

TRP

THR

PRO

GLY

SER

VAL

5

CYS

VAL

PRO

PHE

VAL

ASN

ASP

THR

LYS

ARG

6

GLU

ARG

PRO

TYR

TRP

TYR

LEU

PHE

ASP

ASN

7

VAL

ASN

TYR

THR

GLY

ARG

ILE

THR

GLY

LEU

8

GLY

HIS

GLY

THR

CYS

ILE

ASP

PHE

THR

9

LYS

SER

GLY

PHE

LYS

GLY

ILE

SER

ILE

10

LYS

ARG

CYS

ILE

GLN

THR

LYS

ASP

GLY

LYS

11

VAL

GLU

CYS

ILE

ASN

GLN

Samples:

sample_1: IPSE/alpha-1, [U-13C; U-15N], 1 mM; IPSE/alpha-1, [U-10% 13C], 1 mM

sample_conditions_1: ionic strength: 0.2 M; pH: 7.2; 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 HNCACB	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance III 750 MHz
Bruker Avance III 900 MHz

PDB	4AKA 4EL6
EMBL	CCD78463
GB	AAK26170 AAZ85122