BMRB Entry 27519

Name: Solution NMR chemical shift assignments of nanobody Nb11 specific for aflatoxin B1
Published: 2019-05-14

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27519

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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:

Solution NMR chemical shift assignments of nanobody Nb11 specific for aflatoxin B1

Deposition date:

2018-06-12

Original release date:

2019-05-14

Authors:

Yang, Yunhuang; Li, Shuangli; Nie, Yunhuang; He, Ting

Citation:

Citation: yunhuang, Yang; Shuangli, Li; Ting, He; yao, Nie. "Solution NMR chemical shift assignments of nanobody Nb11 specific for aflatoxin B1" Structure ., .-..

Assembly members:

Assembly members:
Nb11, polymer, 131 residues, Formula weight is not available

Natural source:

Natural source: Common Name: alpaca Taxonomy ID: 30538 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Vicugna Pacos

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32m

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Nb11: MQLQLVESGGGLVQAGGSLR LSCVASGRTFRSNAMGWFRQ APGKEREFVAAIRWSGGSTY YADSVKGRFTISRDNAKNTV YLQMNSLKPEDTAVYLCAAG VWRSSGWDTPDYWGQGTQVT VSSLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	448
15N chemical shifts	126
1H chemical shifts	707

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Nb11	1

Entities:

Entity 1, Nb11 131 residues - Formula weight is not available

1

MET

GLN

LEU

GLN

LEU

VAL

GLU

SER

GLY

2

GLY

LEU

VAL

GLN

ALA

GLY

SER

LEU

ARG

3

LEU

SER

CYS

VAL

ALA

SER

GLY

ARG

THR

PHE

4

ARG

SER

ASN

ALA

MET

GLY

TRP

PHE

ARG

GLN

5

ALA

PRO

GLY

LYS

GLU

ARG

GLU

PHE

VAL

ALA

6

ALA

ILE

ARG

TRP

SER

GLY

SER

THR

TYR

7

TYR

ALA

ASP

SER

VAL

LYS

GLY

ARG

PHE

THR

8

ILE

SER

ARG

ASP

ASN

ALA

LYS

ASN

THR

VAL

9

TYR

LEU

GLN

MET

ASN

SER

LEU

LYS

PRO

GLU

10

ASP

THR

ALA

VAL

TYR

LEU

CYS

ALA

GLY

11

VAL

TRP

ARG

SER

GLY

TRP

ASP

THR

PRO

12

ASP

TYR

TRP

GLY

GLN

GLY

THR

GLN

VAL

THR

13

VAL

SER

LEU

GLU

HIS

14

HIS

Samples:

sample_1: Nb11, [U-99% 13C; U-99% 15N], 0.6 mM; D2O, [U-100% 13C; U-100% 15N], 10% v/v; sodium chloride, [U-100% 13C; U-100% 15N], 100 mM; MES, [U-100% 13C; U-100% 15N], 20 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; 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 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 CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	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 v3.1, Bruker Biospin - collection

NMRPipe v2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TALOS, Cornilescu, Delaglio and Bax - data analysis

SPARKY, Goddard - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

PSVS, Bhattacharya and Montelione - refinement

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 850 MHz

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