BMRB Entry 17806

Name: NMR structure of the calcium-bound form of the protein YP_001302112.1 from Parabacteroides distasonis
Published: 2011-08-26

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PDB ID: 2lge
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17806
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of the calcium-bound form of the protein YP_001302112.1 from Parabacteroides distasonis

Deposition date: 2011-07-25 Original release date: 2011-08-26

Authors: Serrano, Pedro; Geralt, Michael; Mohanty, Biswaranjan; Wuthrich, Kurt

Citation: Serrano, Pedro; Geralt, Michael; Mohanty, Biswaranjan; Wuthrich, Kurt. "NMR structure of the calcium-bound form of the protein YP_001302112.1 from Parabacteroides distasonis" Not known ., .-..

Assembly members:
entity, polymer, 129 residues, 13807.372 Da.
CA, non-polymer, 40.078 Da.

Natural source: Common Name: Parabacteroides distasonis Taxonomy ID: 823 Superkingdom: Bacteria Kingdom: not available Genus/species: Parabacteroides distasonis

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

Entity Sequences (FASTA):
entity: KDDDEPGGKGAMYEVTIEQS GDFRSFIKSVVVVANGTQLK DGATGESLASPVILSDEELA VEKVTLSTTGKAIEFAVSGG VVDGEDGVVNEPMQWVVTVY KNGKEIEKKSLVFRDGKEIS TDDLNLYYN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	532
15N chemical shifts	134
1H chemical shifts	852

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	YP_001302112.1	1
2	Calcium ions	2

Entities:

Entity 1, YP_001302112.1 129 residues - 13807.372 Da.

1

LYS

ASP

GLU

PRO

GLY

LYS

GLY

2

ALA

MET

TYR

GLU

VAL

THR

ILE

GLU

GLN

SER

3

GLY

ASP

PHE

ARG

SER

PHE

ILE

LYS

SER

VAL

4

VAL

ALA

ASN

GLY

THR

GLN

LEU

LYS

5

ASP

GLY

ALA

THR

GLY

GLU

SER

LEU

ALA

SER

6

PRO

VAL

ILE

LEU

SER

ASP

GLU

LEU

ALA

7

VAL

GLU

LYS

VAL

THR

LEU

SER

THR

GLY

8

LYS

ALA

ILE

GLU

PHE

ALA

VAL

SER

GLY

9

VAL

ASP

GLY

GLU

ASP

GLY

VAL

ASN

10

GLU

PRO

MET

GLN

TRP

VAL

THR

VAL

TYR

11

LYS

ASN

GLY

LYS

GLU

ILE

GLU

LYS

SER

12

LEU

VAL

PHE

ARG

ASP

GLY

LYS

GLU

ILE

SER

13

THR

ASP

LEU

ASN

LEU

TYR

ASN

Entity 2, Calcium ions - Ca - 40.078 Da.

1

CA

Samples:

sample_1: YP_001302112.1, [U-98% 13C; U-98% 15N], 1.2 mM; calcium chloride 10 mM; sodium chloride 25 mM; sodium phosphate 20 mM; sodium azide 5 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.145 M; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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
5D APSY CBCACONH	sample_1	isotropic	sample_conditions_1
4D APSY HACANH	sample_1	isotropic	sample_conditions_1
5D APSY HACACONH	sample_1	isotropic	sample_conditions_1

Software:

CYANA, G ntert P. - refinement

Opalp, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

TOPSPIN, Bruker Biospin - collection, data analysis, processing

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

BMRB	17799
PDB	2LG7 2LGE
EMBL	CUP04873 CUP86285 CUQ25107
GB	AAO45318 ABR42490 EFG18115 EFK63750 EIY16653
REF	NP_818973 WP_005842168 WP_007659490 WP_032583709

Biological Magnetic Resonance Data Bank