BMRB Entry 27304

Name: Backbone 1H and 15N Chemical Shift Assignments for HOLO-BAMB5917
Published: 2019-09-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27304

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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:

Backbone 1H and 15N Chemical Shift Assignments for HOLO-BAMB5917

Deposition date:

2017-11-07

Original release date:

2019-09-09

Authors:

Kosol, Simone; Gallo, Angelo; Griffiths, Daniel; Valentic, Timothy; Masschelein, Joleen; Jenner, Matthew; de los Santos, Emmanuel; Rea, Dean; Fulop, Vilmos; Tsai, Shiou-Chuan; Challis, Gregory; Lewandowski, Jozef

Citation:

Citation: Kosol, Simone; Gallo, Angelo; Griffiths, Daniel; Valentic, Timothy; Masschelein, Joleen; Jenner, Matthew; de Los Santos, Emmanuel; Manzi, Lucio; Sydor, Paulina; Rea, Dean; Zhou, Shanshan; Fulop, Vilmos; Oldham, Neil; Tsai, Shiou-Chuan; Challis, Gregory; Lewandowski, Jozef. "Structural basis for chain release from the enacyloxin polyketide synthase" Nat. Chem. 11, 913-923 (2019).
PubMed: 31548674

Assembly members:

Assembly members:
BAMB5917_PCP17, polymer, 107 residues, 11682 Da.
entity_PNS, non-polymer, 358.348 Da.

Natural source:

Natural source: Common Name: Burkholderia ambifaria Taxonomy ID: 152480 Superkingdom: Bacteria Kingdom: not available Genus/species: Burkholderia ambifaria

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET151/D-TOPO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BAMB5917_PCP17: GIDPFTGAAAGVSAAGIEPD LTAIWQALFALPAVGRHQDF FALGGDSQLGLRMLAQLRER HGVDLPLRCLYEAPTVARLA ETIVRLAAPAPSGDQDDASE YEEGVIR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	93
1H chemical shifts	93

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BAMB5917	1
2	PP-ARM	2

Entities:

Entity 1, BAMB5917 107 residues - 11682 Da.

GIDPFT TEV cleavage site

1

GLY

ILE

ASP

PRO

PHE

THR

GLY

ALA

2

GLY

VAL

SER

ALA

GLY

ILE

GLU

PRO

ASP

3

LEU

THR

ALA

ILE

TRP

GLN

ALA

LEU

PHE

ALA

4

LEU

PRO

ALA

VAL

GLY

ARG

HIS

GLN

ASP

PHE

5

PHE

ALA

LEU

GLY

ASP

SER

GLN

LEU

GLY

6

LEU

ARG

MET

LEU

ALA

GLN

LEU

ARG

GLU

ARG

7

HIS

GLY

VAL

ASP

LEU

PRO

LEU

ARG

CYS

LEU

8

TYR

GLU

ALA

PRO

THR

VAL

ALA

ARG

LEU

ALA

9

GLU

THR

ILE

VAL

ARG

LEU

ALA

PRO

ALA

10

PRO

SER

GLY

ASP

GLN

ASP

ALA

SER

GLU

11

TYR

GLU

GLY

VAL

ILE

ARG

Entity 2, PP-ARM - C11 H23 N2 O7 P S - 358.348 Da.

1

PNS

Samples:

sample_1: BAMB5917_PCP17, [U-100% 15N], 0.5 mM; PP-ARM 0.5 mM; D2O, [U-2H], 10%; H2O 90%; DSS 1%

sample_conditions_1: ionic strength: 150 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz

UniProt	Q0B311
AlphaFold	Q0B311