Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53295

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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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Name: HtrA PDZ
Published: 2026-01-23

Title:

HtrA PDZ

Deposition date:

2025-07-30

Original release date:

2026-01-23

Authors:

Lee, Eunjeong

Citation:

Citation: Lee, Eunjeong; Redzic, Jasmina; Gordon, Blaine; Saviola, Anthony; Tran, Norman; Maroney, Sean; Ashby, Nathanael; Shaw, Steven; Fulte, Sam; McCarty, Arianna; Holyoak, Todd; Meyer, Nancy; Hansen, Kirk; Clark, Sarah; Eisenmesser, Elan. "Streptococcus pneumoniae HtrA is a dynamic and monomeric virulence factor capable of forming larger oligomeric complexes" Protein Sci. 35, e70411-e70411 (2026).
PubMed: 41457497

Assembly members:

Assembly members:
entity_1, polymer, 109 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Streptococcus pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KVTRPALGIQMVNLSNVSTS DIRRLNIPSNVTSGVIVRSV QSNMPANGHLEKYDVITKVD DKEIASSTDLQSALYNHSIG DTIKITYYRNGKEETTSIKL NKSSGDLES

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	208
15N chemical shifts	101
1H chemical shifts	101

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HtrA PDZ	1

Entities:

Entity 1, HtrA PDZ 109 residues - Formula weight is not available

1

LYS

VAL

THR

ARG

PRO

ALA

LEU

GLY

ILE

GLN

2

MET

VAL

ASN

LEU

SER

ASN

VAL

SER

THR

SER

3

ASP

ILE

ARG

LEU

ASN

ILE

PRO

SER

ASN

4

VAL

THR

SER

GLY

VAL

ILE

VAL

ARG

SER

VAL

5

GLN

SER

ASN

MET

PRO

ALA

ASN

GLY

HIS

LEU

6

GLU

LYS

TYR

ASP

VAL

ILE

THR

LYS

VAL

ASP

7

ASP

LYS

GLU

ILE

ALA

SER

THR

ASP

LEU

8

GLN

SER

ALA

LEU

TYR

ASN

HIS

SER

ILE

GLY

9

ASP

THR

ILE

LYS

ILE

THR

TYR

ARG

ASN

10

GLY

LYS

GLU

THR

SER

ILE

LYS

LEU

11

ASN

LYS

SER

GLY

ASP

LEU

GLU

SER

Samples:

sample_1: HtrA PDZ mM; D2O, [U-100% 2H], 10%; sodium chloride 50 mM; sodium phosphate 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR - chemical shift assignment, data analysis

NMR spectrometers:

Bruker AVANCE III 600 MHz

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

BMRB Entry 53295