BMRB Entry 16372

Name: Solution structure of protein af2351 from Archaeoglobus fulgidus. Northeast Structural Genomics Consortium target AtT9/Ontario Center for Structural Proteomics Target af2351
Published: 2009-06-30

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PDB ID: 2kku
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16372
MolProbity Validation Chart

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

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Title:

Solution structure of protein af2351 from Archaeoglobus fulgidus. Northeast Structural Genomics Consortium target AtT9/Ontario Center for Structural Proteomics Target af2351

Deposition date:

2009-06-29

Original release date:

2009-06-30

Authors:

Wu, Bin; Yee, Adelinda; Fares, Christophe; Lemak, Alexander; Rumpel, Sigrun; Semest, Anthony; Arrowsmith, Cheryl

Citation:

Citation: Wu, Bin; Yee, Adelinda; Fares, Christophe; Lemak, Alexander; Rumpel, Sigrun; Semest, Anthony; Arrowsmith, Cheryl. "Solution structure of protein af2351 from Archaeoglobus fulgidus. Northeast Structural Genomics Consortium target AtT9/Ontario Center for Structural Proteomics Target af2351" .

Assembly members:

Assembly members:
af2351, polymer, 139 residues, 16693.863 Da.

Natural source:

Natural source: Common Name: Archaeoglobus fulgidus Taxonomy ID: 2234 Superkingdom: Archaea Kingdom: not available Genus/species: Archaeoglobus fulgidus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
af2351: MSKIVGVTYPIPKRFMDRFF KKGKDVFVKPATVWKELKPG MKFVFYQSHEDTGFVGEARI KRVVLSENPMQFFETFGDRV FLTKDELKEYMKSQERWGRR RESKKKKLWMAIELEDVKKY DKPIKPKRLVPVGGQYLRE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	574
15N chemical shifts	114
1H chemical shifts	963

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	af2351	1

Entities:

Entity 1, af2351 139 residues - 16693.863 Da.

1

MET

SER

LYS

ILE

VAL

GLY

VAL

THR

TYR

PRO

2

ILE

PRO

LYS

ARG

PHE

MET

ASP

ARG

PHE

3

LYS

GLY

LYS

ASP

VAL

PHE

VAL

LYS

PRO

4

ALA

THR

VAL

TRP

LYS

GLU

LEU

LYS

PRO

GLY

5

MET

LYS

PHE

VAL

PHE

TYR

GLN

SER

HIS

GLU

6

ASP

THR

GLY

PHE

VAL

GLY

GLU

ALA

ARG

ILE

7

LYS

ARG

VAL

LEU

SER

GLU

ASN

PRO

MET

8

GLN

PHE

GLU

THR

PHE

GLY

ASP

ARG

VAL

9

PHE

LEU

THR

LYS

ASP

GLU

LEU

LYS

GLU

TYR

10

MET

LYS

SER

GLN

GLU

ARG

TRP

GLY

ARG

11

ARG

GLU

SER

LYS

LEU

TRP

MET

12

ALA

ILE

GLU

LEU

GLU

ASP

VAL

LYS

TYR

13

ASP

LYS

PRO

ILE

LYS

PRO

LYS

ARG

LEU

VAL

14

PRO

VAL

GLY

GLN

TYR

LEU

ARG

GLU

Samples:

sample_1: af2351, [U-100% 13C; U-100% 15N], 0.5 mM; bis-tris 25 mM; sodium chloride 50 mM; sodium azide 0.01%; benzamidine 1 mM; H2O 90%; D2O 10%

sample_2: af2351, [U-100% 13C; U-100% 15N], 0.5 mM; bis-tris 25 mM; sodium chloride 50 mM; sodium azide 0.01%; benzamidine 1 mM; D2O 99.9%

sample_3: af2351, [U-7% 13C; U-99% 15N], 0.5 mM; bis-tris 25 mM; sodium chloride 50 mM; sodium azide 0.01%; benzamidine 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	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 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1

Software:

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

MDDGUI v1.0, Gutmanas and Arrowsmith - processing

SPARKY v3.95, Goddard - data analysis, peak picking

FAWN v1.0, Lemak and Arrowsmith - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

AutoStruct, Huang, Tejero, Powers and Montelione - NMR structure quality assessment

PSVS, Bhattacharya and Montelione - NMR structure quality assessment

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2KKU
GB	AAB91313
REF	WP_010879837