BMRB Entry 27468

Name: Isoleucine-, leucine-, valine-, alanine-, methionine-, threonine-methyl and backbone chemical shift assignment of gp17.1
Published: 2018-07-06

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PDB ID: 6yeg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27468
MolProbity Validation Chart

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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:

Isoleucine-, leucine-, valine-, alanine-, methionine-, threonine-methyl and backbone chemical shift assignment of gp17.1

Deposition date:

2018-04-30

Original release date:

2018-07-06

Authors:

Zinke, Maximilian; Lange, Adam

Citation:

Citation: Zinke, Maximilian; Fricke, Pascal; Lange, Sascha; Zinn-Justin, Sophie; Lange, Adam. "Protein-Protein Interfaces Probed by Methyl Labeling and Proton-Detected Solid-State NMR Spectroscopy" Chemphyschem 19, 2457-2460 (2018).
PubMed: 29917302

Assembly members:

Assembly members:
gp17.1, polymer, 185 residues, Formula weight is not available

Natural source:

Natural source: Common Name: SPP1 bacteriophage Taxonomy ID: 38018 Superkingdom: Viruses Kingdom: not available Genus/species: SPP1 bacteriophage

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETM-13

Entity Sequences (FASTA):

Entity Sequences (FASTA):
gp17.1: MGMPETPIMGQDVKYLFQSI DAATGSAPLFPAYQTDGSVS GERELFDEQTKNGRILGPGS VADSGEVTYYGKRGDAGQKA IEDAYQNGKQIKFWRVDTVK NENDKYDAQFGFAYIESREY SDGVEGAVEISISLQVIGEL KNGEIDTLPEEIVNVSKGGY DFQQPGQTTGEAPGTVPAPH HHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	503
15N chemical shifts	152
1H chemical shifts	308

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	gp17.1 phage tail	1

Entities:

Entity 1, gp17.1 phage tail 185 residues - Formula weight is not available

1

MET

GLY

MET

PRO

GLU

THR

PRO

ILE

MET

GLY

2

GLN

ASP

VAL

LYS

TYR

LEU

PHE

GLN

SER

ILE

3

ASP

ALA

THR

GLY

SER

ALA

PRO

LEU

PHE

4

PRO

ALA

TYR

GLN

THR

ASP

GLY

SER

VAL

SER

5

GLY

GLU

ARG

GLU

LEU

PHE

ASP

GLU

GLN

THR

6

LYS

ASN

GLY

ARG

ILE

LEU

GLY

PRO

GLY

SER

7

VAL

ALA

ASP

SER

GLY

GLU

VAL

THR

TYR

8

GLY

LYS

ARG

GLY

ASP

ALA

GLY

GLN

LYS

ALA

9

ILE

GLU

ASP

ALA

TYR

GLN

ASN

GLY

LYS

GLN

10

ILE

LYS

PHE

TRP

ARG

VAL

ASP

THR

VAL

LYS

11

ASN

GLU

ASN

ASP

LYS

TYR

ASP

ALA

GLN

PHE

12

GLY

PHE

ALA

TYR

ILE

GLU

SER

ARG

GLU

TYR

13

SER

ASP

GLY

VAL

GLU

GLY

ALA

VAL

GLU

ILE

14

SER

ILE

SER

LEU

GLN

VAL

ILE

GLY

GLU

LEU

15

LYS

ASN

GLY

GLU

ILE

ASP

THR

LEU

PRO

GLU

16

GLU

ILE

VAL

ASN

VAL

SER

LYS

GLY

TYR

17

ASP

PHE

GLN

PRO

GLY

GLN

THR

GLY

18

GLU

ALA

PRO

GLY

THR

VAL

PRO

ALA

PRO

HIS

19

HIS

Samples:

sample_1_sample_deut: gp17.1, [u-2H13C15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_2_sample_ile: gp17.1, [isoleucine-(1HD1, 13CD1)-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_3_sample_ala: gp17.1, [alanine-(1HB, 13CB)-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_4_sample_LV: gp17.1, [leucine-(1HD, 13CD)proR-valine-(1HG, 13CG)proR-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_5_sample_threonine: gp17.1, [threonine-(1HG2, 13CG2)-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_6_sample_methionine: gp17.1, [methionine-(1HE, 13CE)-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_7_sample_QLAM: gp17.1, [alanine-(1HB, 13CB)- isoleucine-(1HD1, 13CD1)-( 1HG2, 13CG2)-leucine-(1HD, 13CD)proR/proS-valine-(1HG, 13CG)proR/proS- u-15N; 100% back-exchange] , 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_conditions_1: ionic strength: 0.5 M; pH: 7.4; pressure: 1 atm; temperature: 291 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D hNH	sample_1_sample_deut	isotropic	sample_conditions_1
3D hCANH	sample_1_sample_deut	isotropic	sample_conditions_1
3D hCONH	sample_1_sample_deut	isotropic	sample_conditions_1
4D hCACONH	sample_1_sample_deut	isotropic	sample_conditions_1
4D hCOCANH	sample_1_sample_deut	isotropic	sample_conditions_1
4D hCBCANH	sample_1_sample_deut	isotropic	sample_conditions_1
2D hCH	sample_2_sample_ile	isotropic	sample_conditions_1
2D HccanH	sample_2_sample_ile	isotropic	sample_conditions_1
3D HNhH	sample_2_sample_ile	isotropic	sample_conditions_1
3D HChH	sample_2_sample_ile	isotropic	sample_conditions_1
2D hCH	sample_3_sample_ala	isotropic	sample_conditions_1
3D HNhH	sample_3_sample_ala	isotropic	sample_conditions_1
2D hCH	sample_4_sample_LV	isotropic	sample_conditions_1
3D HNhH	sample_4_sample_LV	isotropic	sample_conditions_1
3D HChH	sample_4_sample_LV	isotropic	sample_conditions_1
2D hCH	sample_5_sample_threonine	isotropic	sample_conditions_1
3D HNhH	sample_5_sample_threonine	isotropic	sample_conditions_1
2D hCH	sample_6_sample_methionine	isotropic	sample_conditions_1
3D HNhH	sample_6_sample_methionine	isotropic	sample_conditions_1
2D hCH	sample_7_sample_QLAM	isotropic	sample_conditions_1
2D HccanH	sample_7_sample_QLAM	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CcpNMR, CCPN - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance 900 MHz

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