BMRB Entry 16653

Name: 1H, 13C and 15N resonance assignment of the PDZ domain of HtrA from Streptococcus pneumonia
Published: 2010-05-05

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PDB ID: 2l97
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16653
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: 1H, 13C and 15N resonance assignment of the PDZ domain of HtrA from Streptococcus pneumonia PubMed: 20437142

Deposition date: 2009-12-23 Original release date: 2010-05-05

Authors: Fan, Kai; Shang, Qiang; Zhang, Jiahai; Tu, Xiaoming

Citation: Fan, Kai; Zhang, Jiahai; Shang, Qiang; Tu, Xiaoming. "1H, 13C and 15N resonance assignment of the PDZ domain of HtrA from Streptococcus pneumoniae." Biomol. NMR Assignments 4, 79-82 (2010).

Assembly members:
HtrA-PDZ, polymer, 134 residues, Formula weight is not available

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

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

Entity Sequences (FASTA):
HtrA-PDZ: MEGLGFAIPANDAINIIEQL EKNGKVTRPALGIQMVNLSN VSTSDIRRLNIPSNVTSGVI VRSVQSNMPANGHLEKYDVI TKVDDKEIASSTDLQSALYN HSIGDTIKITYYRNGKEETT SIKLNKLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	376
15N chemical shifts	119
1H chemical shifts	796

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HtrA_PDZ, chain 1	1
2	HtrA_PDZ, chain 2	1

Entities:

Entity 1, HtrA_PDZ, chain 1 134 residues - Formula weight is not available

1

MET

GLU

GLY

LEU

GLY

PHE

ALA

ILE

PRO

ALA

2

ASN

ASP

ALA

ILE

ASN

ILE

GLU

GLN

LEU

3

GLU

LYS

ASN

GLY

LYS

VAL

THR

ARG

PRO

ALA

4

LEU

GLY

ILE

GLN

MET

VAL

ASN

LEU

SER

ASN

5

VAL

SER

THR

SER

ASP

ILE

ARG

LEU

ASN

6

ILE

PRO

SER

ASN

VAL

THR

SER

GLY

VAL

ILE

7

VAL

ARG

SER

VAL

GLN

SER

ASN

MET

PRO

ALA

8

ASN

GLY

HIS

LEU

GLU

LYS

TYR

ASP

VAL

ILE

9

THR

LYS

VAL

ASP

LYS

GLU

ILE

ALA

SER

10

SER

THR

ASP

LEU

GLN

SER

ALA

LEU

TYR

ASN

11

HIS

SER

ILE

GLY

ASP

THR

ILE

LYS

ILE

THR

12

TYR

ARG

ASN

GLY

LYS

GLU

THR

13

SER

ILE

LYS

LEU

ASN

LYS

LEU

GLU

HIS

14

HIS

Samples:

sample_1: HtrA-PDZ, [U-99% 13C; U-99% 15N], 0.6 mM; sodium chloride 100 mM; sodium phosphate 25 mM; DTT 2 mM; EDTA 1.5 mM; D2O 10%

sample_conditions_1: ionic strength: 125 mM; pH: 6.8; 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	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1

Software:

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

NMR spectrometers:

Bruker DMX 500 MHz

PDB	2L97
EMBL	CAR70001 CBW33633 CBW35682 CBW37622 CCM09372
GB	AAC45334 AAK76286 AAL00847 ABJ54994 ACA35689
REF	NP_359636 WP_000197799 WP_000681590 WP_000681595 WP_000681597

Biological Magnetic Resonance Data Bank