BMRB Entry 18429

Name: Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188
Published: 2012-08-30

Click here to enlarge.

PDB ID: 2lse
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18429
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188

Deposition date:

2012-04-28

Original release date:

2012-08-30

Authors:

Sathyamoorthy, Bharathwaj; Pulavarti, Surya VSRK; Murphy, Grant; Mills, Jeffrey; Eletski, Alexander; Der, Bryan; Machius, Mischa; Kuhlman, Brian; Montelione, Gaetano; Szyperski, Thomas

Citation:

Citation: Murphy, Grant; Sathyamoorthy, Bharathwaj; Der, Bryan; Machius, Mischa; Pulavarti, Surya VSRK; Montelione, Gaetano; Szyperski, Thomas; Kuhlman, Brian. "Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188" To be published ., .-..

Assembly members:

Assembly members:
OR188, polymer, 101 residues, 11927.662 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET21B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
OR188: MQEERKKLLEKLEKILDEVT DGAPDEARERIEKLAKDVKD ELEEGDAKNMIEKFRDEMEQ MYKDAPNAVMEQLLEEIEKL LKKAGSLVPRGSYLEHHHHH H

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	435
15N chemical shifts	95
1H chemical shifts	717

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	OR188	1

Entities:

Entity 1, OR188 101 residues - 11927.662 Da.

1

MET

GLN

GLU

ARG

LYS

LEU

GLU

2

LYS

LEU

GLU

LYS

ILE

LEU

ASP

GLU

VAL

THR

3

ASP

GLY

ALA

PRO

ASP

GLU

ALA

ARG

GLU

ARG

4

ILE

GLU

LYS

LEU

ALA

LYS

ASP

VAL

LYS

ASP

5

GLU

LEU

GLU

GLY

ASP

ALA

LYS

ASN

MET

6

ILE

GLU

LYS

PHE

ARG

ASP

GLU

MET

GLU

GLN

7

MET

TYR

LYS

ASP

ALA

PRO

ASN

ALA

VAL

MET

8

GLU

GLN

LEU

GLU

ILE

GLU

LYS

LEU

9

LEU

LYS

ALA

GLY

SER

LEU

VAL

PRO

ARG

10

GLY

SER

TYR

LEU

GLU

HIS

11

HIS

Samples:

NC: OR188.001, [U-100% 13C; U-100% 15N], 23.8 mg/mL; phosphate 100 mM; NaCl 100 mM; H2O 90%; D2O 10%

NC10: OR188.001, [U-10% 13C; U-100% 15N], 1.3 mg/mL; phosphate 100 mM; NaCl 100 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC	isotropic	sample_conditions_1
3D HN(CA)CO	NC	isotropic	sample_conditions_1
3D HNCO	NC	isotropic	sample_conditions_1
(4,3)D GFT CABCA(CO)NH	NC	isotropic	sample_conditions_1
(4,3)D GFT HNCACAB	NC	isotropic	sample_conditions_1
(4,3)D GFT HABCAB(CO)NH	NC	isotropic	sample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY	NC	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic CT	NC	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic CT	NC	isotropic	sample_conditions_1
(4,3)D GFT HCCH-COSY aliphatic SP1/SP2/CP	NC	isotropic	sample_conditions_1
3D HCCH TOCSY	NC	isotropic	sample_conditions_1
3D C(CO)NH	NC	isotropic	sample_conditions_1
3D H(CCO)NH	NC	isotropic	sample_conditions_1
(4,3)D GFT HCCH-COSY aromatic SP1/SP2/CP	NC	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic 28ms CT	NC10	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic 42ms CT	NC10	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic 56ms CT	NC10	isotropic	sample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinemen,structure solution,geometry optimization

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

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment

PROSA, Guntert - processing

XEASY, Bartels et al. - data analysis, processing

VNMRJ v2.2D, Varian - collection

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PSVS, Bhattacharya, Montelione - structure validation

CARA v1,8, Keller and Wuthrich - chemical shift assignment, chemical shift calculation, data analysis, peak picking, refinement

CSI v2.0, David Wishart, Brian Sykes - data analysis

Molmol v2K.2, Koradi, Billeter and Wuthrich - structure solution, visualization

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz