BMRB Entry 25127

Name: NMR structure of a putative phosphoglycolate phosphatase (NP_346487.1) from Streptococcus pneumoniae TIGR4
Published: 2014-09-22

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PDB ID: 2msn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25127
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR structure of a putative phosphoglycolate phosphatase (NP_346487.1) from Streptococcus pneumoniae TIGR4

Deposition date:

2014-08-04

Original release date:

2014-09-22

Authors:

Jaudzems, Kristaps; Serrano, Pedro; Pedrini, Bill; Geralt, Michael; Wuthrich, Kurt

Citation:

Citation: Jaudzems, Kristaps; Serrano, Pedro; Pedrini, Bill; Geralt, Michael; Wuthrich, Kurt. "NMR structure of a putative phosphoglycolate phosphatase (NP_346487.1) from Streptococcus pneumoniae TIGR4" To be Published ., .-..

Assembly members:

Assembly members:
entity, polymer, 208 residues, 23706.646 Da.

Natural source:

Natural source: Common Name: firmicutes Taxonomy ID: 170187 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28TEV

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GHMQKTAFIWDLDGTLLDSY EAILSGIEETFAQFSIPYDK EKVREFIFKYSVQDLLVRVA EDRNLDVEVLNQVRAQSLAE KNAQVVLMPGAREVLAWADE SGIQQFIYTHKGNNAFTILK DLGVESYFTEILTSQSGFVR KPSPEAATYLLDKYQLNSDN TYYIGDRTLDVEFAQNSGIQ SINFLESTYEGNHRIQALAD ISRIFETK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	1287
13C chemical shifts	696
15N chemical shifts	230

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 208 residues - 23706.646 Da.

Residues -2 and -1 are from a non-native purification tag

1

GLY

HIS

MET

GLN

LYS

THR

ALA

PHE

ILE

TRP

2

ASP

LEU

ASP

GLY

THR

LEU

ASP

SER

TYR

3

GLU

ALA

ILE

LEU

SER

GLY

ILE

GLU

THR

4

PHE

ALA

GLN

PHE

SER

ILE

PRO

TYR

ASP

LYS

5

GLU

LYS

VAL

ARG

GLU

PHE

ILE

PHE

LYS

TYR

6

SER

VAL

GLN

ASP

LEU

VAL

ARG

VAL

ALA

7

GLU

ASP

ARG

ASN

LEU

ASP

VAL

GLU

VAL

LEU

8

ASN

GLN

VAL

ARG

ALA

GLN

SER

LEU

ALA

GLU

9

LYS

ASN

ALA

GLN

VAL

LEU

MET

PRO

GLY

10

ALA

ARG

GLU

VAL

LEU

ALA

TRP

ALA

ASP

GLU

11

SER

GLY

ILE

GLN

PHE

ILE

TYR

THR

HIS

12

LYS

GLY

ASN

ALA

PHE

THR

ILE

LEU

LYS

13

ASP

LEU

GLY

VAL

GLU

SER

TYR

PHE

THR

GLU

14

ILE

LEU

THR

SER

GLN

SER

GLY

PHE

VAL

ARG

15

LYS

PRO

SER

PRO

GLU

ALA

THR

TYR

LEU

16

LEU

ASP

LYS

TYR

GLN

LEU

ASN

SER

ASP

ASN

17

THR

TYR

ILE

GLY

ASP

ARG

THR

LEU

ASP

18

VAL

GLU

PHE

ALA

GLN

ASN

SER

GLY

ILE

GLN

19

SER

ILE

ASN

PHE

LEU

GLU

SER

THR

TYR

GLU

20

GLY

ASN

HIS

ARG

ILE

GLN

ALA

LEU

ALA

ASP

21

ILE

SER

ARG

ILE

PHE

GLU

THR

LYS

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 1.5 ± 0.1 mM; D2O, [U-100% 2H], 5 ± 0.5 %; sodium azide 0.03 ± 0.01 %; sodium phosphate 20 ± 2 mM; sodium chloride 50 ± 2 mM; H2O 95%

sample_conditions_1: temperature: 298 K; pH: 6.5; pressure: 1 atm; ionic strength: 0.08 M

Experiments:

Name	Sample	Sample state	Sample conditions
5D APSY-HACACONH	sample_1	isotropic	sample_conditions_1
4D APSY-HACANH	sample_1	isotropic	sample_conditions_1
4D APSY-HNCOCA	sample_1	isotropic	sample_conditions_1
4D APSY-HNCACO	sample_1	isotropic	sample_conditions_1
5D APSY-CBCACONH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

TOPSPIN v2.1, Bruker Biospin - collection

CARA v1.9, Keller, Wuthrich - data analysis

UNIO-MATCH, Volk, Herrmann, Wuthrich - chemical shift assignment

UNIO-ATNOS-ASCAN, Fiorito, Herrmann, Guntert, Wuthrich - chemical shift assignment

UNIO-ATNOS-CANDID, Herrmann, Guntert, Wuthrich - peak picking, structure solution

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2GO7 2MSN
EMBL	CAR69831 CBW33471 CBW35510 CBW37461 CCP31549
GB	AAK76127 AAL00678 ABJ54930 ACA36863 ACB91283
REF	NP_359467 WP_001172817 WP_001172820 WP_001172821 WP_001172822