BMRB Entry 50450

Name: 1H, 13C and 15N backbone resonance assignments for isolated PDZ1 domain of the DegP serine protease from E. coli
Published: 2021-10-15

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50450

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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:

1H, 13C and 15N backbone resonance assignments for isolated PDZ1 domain of the DegP serine protease from E. coli

Deposition date:

2020-09-01

Original release date:

2021-10-15

Authors:

Sulskis, Darius; Thoma, Johannes; Burmann, Bjorn

Citation:

Citation: Sulskis, Darius; Thoma, Johannes; Burmann, Bjorn. "Structural basis of DegP protease temperature-dependent activation" Sci. Adv. 7, eabj1816-eabj1816 (2021).
PubMed: 34878848

Assembly members:

Assembly members:
entity_1, polymer, 94 residues, 9680 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KRGELGIMGTELNSELAKAM KVDAQRGAFVSQVLPNSSAA KAGIKAGDVITSLNGKPISS FAALRAQVGTMPVGSKLTLG LLRDGKQVNVNLEL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	217
15N chemical shifts	76
1H chemical shifts	76

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PDZ1	1

Entities:

Entity 1, PDZ1 94 residues - 9680 Da.

1

LYS

ARG

GLY

GLU

LEU

GLY

ILE

MET

GLY

THR

2

GLU

LEU

ASN

SER

GLU

LEU

ALA

LYS

ALA

MET

3

LYS

VAL

ASP

ALA

GLN

ARG

GLY

ALA

PHE

VAL

4

SER

GLN

VAL

LEU

PRO

ASN

SER

ALA

5

LYS

ALA

GLY

ILE

LYS

ALA

GLY

ASP

VAL

ILE

6

THR

SER

LEU

ASN

GLY

LYS

PRO

ILE

SER

7

PHE

ALA

LEU

ARG

ALA

GLN

VAL

GLY

THR

8

MET

PRO

VAL

GLY

SER

LYS

LEU

THR

LEU

GLY

9

LEU

ARG

ASP

GLY

LYS

GLN

VAL

ASN

VAL

10

ASN

LEU

GLU

LEU

Samples:

sample_1: PDZ1 domain of DegP, [U-100% 13C; U-100% 15N], 665 uM; D2O, [U-100% 2H], 10%; H2O 90%; potassium phosphate 25 mM; EDTA 1 mM; TCEP 1 mM

sample_conditions_1: ionic strength: 25 mM; pH: 7.0; pressure: 1 atm; temperature: 323 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.5 - collection, data analysis

CARA v1.9.1.7 - chemical shift assignment, chemical shift calculation, data analysis, peak picking

qMDD v3.2 - processing

NMRPipe v9.6 - processing

NMR spectrometers:

Bruker AVANCE III 800 MHz

UNP	P0C0V0
AlphaFold	P15724