BMRB Entry 15535

Name: Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function
Published: 2008-11-03

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PDB ID: 2jws
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15535
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function

Deposition date:

2007-10-24

Original release date:

2008-11-03

Authors:

He, Yanan; Chen, Yihong; Alexander, Patrick; Bryan, Philip; Orban, John

Citation:

Citation: He, Yanan; Chen, Yihong; Alexander, Patrick; Bryan, Philip; Orban, John. "NMR structures of two designed proteins with high sequence identity but different fold and function" Proc. Natl. Acad. Sci. U.S.A. 105, 14412-14417 (2008).
PubMed: 18796611

Assembly members:

Assembly members:
Ga88, polymer, 56 residues, 6317.434 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not applicable

Experimental source:

Experimental source: Production method: over expression in E. Coli Host organism: not applicable

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ga88: TTYKLILNLKQAKEEAIKEL VDAGIAEKYIKLIANAKTVE GVWTLKDEILTFTVTE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	238
15N chemical shifts	56
1H chemical shifts	354

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ga88	1

Entities:

Entity 1, Ga88 56 residues - 6317.434 Da.

1

THR

TYR

LYS

LEU

ILE

LEU

ASN

LEU

LYS

2

GLN

ALA

LYS

GLU

ALA

ILE

LYS

GLU

LEU

3

VAL

ASP

ALA

GLY

ILE

ALA

GLU

LYS

TYR

ILE

4

LYS

LEU

ILE

ALA

ASN

ALA

LYS

THR

VAL

GLU

5

GLY

VAL

TRP

THR

LEU

LYS

ASP

GLU

ILE

LEU

6

THR

PHE

THR

VAL

THR

GLU

Samples:

Ga88: Ga88, [U-100% 13C; U-100% 15N], 0.2 – 0.4 mM; sodium phosphate 50 mM; sodium chloride 50 mM; H20 90%; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 295 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	Ga88	isotropic	sample_conditions_1
3D HNCACB	Ga88	isotropic	sample_conditions_1
3D CBCA(CO)NH	Ga88	isotropic	sample_conditions_1
3D HBHA(CO)NH	Ga88	isotropic	sample_conditions_1
3D H(CCO)NH	Ga88	isotropic	sample_conditions_1
3D C(CO)NH	Ga88	isotropic	sample_conditions_1
3D HNCO	Ga88	isotropic	sample_conditions_1
3D 1H-15N NOESY	Ga88	isotropic	sample_conditions_1
3D 1H-13C NOESY(aliphatic)	Ga88	isotropic	sample_conditions_1
3D 1H-13C NOESY(aromatic)	Ga88	isotropic	sample_conditions_1

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

xwinnmr v2.5, Bruker Biospin - collection

NMRPipe vn/a, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3, Goddard - data analysis

NMR spectrometers:

Bruker DRX 600 MHz