BMRB Entry 15928

Name: Human ARNT C-Terminal PAS Domain, 3 Residue IB slip
Published: 2008-02-13

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PDB ID: 2k7s
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/BMR15928
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Human ARNT C-Terminal PAS Domain, 3 Residue IB slip

Deposition date:

2008-08-20

Original release date:

2008-02-13

Authors:

Evans, Matthew; Card, Paul; Gardner, Kevin

Citation:

Citation: Evans, Matthew; Card, Paul; Gardner, Kevin. "ARNT PAS-B has a fragile native state structure with an alternative {beta}-sheet register nearby in sequence space." Proc. Natl. Acad. Sci. U.S.A. 106, 2617-2622 (2009).
PubMed: 19196990

Assembly members:

Assembly members:
ARNT_PAS-B_Slipped_IB_Strand, polymer, 119 residues, 13799.596 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pHis-parallel

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ARNT_PAS-B_Slipped_IB_Strand: GAMDNVCQPTEFISRHNIEG IFTFVDHRCVATVGYQPQEL LGKNIVEFCHPEDQQLLRDS FQQVVKLKGQVLSVMFRFRS KNQEWLWMRTSSQTAQNPYS DEIETIICTNTNVKNSSQE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	492
15N chemical shifts	122
1H chemical shifts	772

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ARNT_PAS-B_Slipped_IB_Strand	1

Entities:

Entity 1, ARNT_PAS-B_Slipped_IB_Strand 119 residues - 13799.596 Da.

First four residues (GAMD) is a cloning artifact

1

GLY

ALA

MET

ASP

ASN

VAL

CYS

GLN

PRO

THR

2

GLU

PHE

ILE

SER

ARG

HIS

ASN

ILE

GLU

GLY

3

ILE

PHE

THR

PHE

VAL

ASP

HIS

ARG

CYS

VAL

4

ALA

THR

VAL

GLY

TYR

GLN

PRO

GLN

GLU

LEU

5

LEU

GLY

LYS

ASN

ILE

VAL

GLU

PHE

CYS

HIS

6

PRO

GLU

ASP

GLN

LEU

ARG

ASP

SER

7

PHE

GLN

VAL

LYS

LEU

LYS

GLY

GLN

8

VAL

LEU

SER

VAL

MET

PHE

ARG

PHE

ARG

SER

9

LYS

ASN

GLN

GLU

TRP

LEU

TRP

MET

ARG

THR

10

SER

GLN

THR

ALA

GLN

ASN

PRO

TYR

SER

11

ASP

GLU

ILE

GLU

THR

ILE

CYS

THR

ASN

12

THR

ASN

VAL

LYS

ASN

SER

GLN

GLU

Samples:

sample_1: ARNT PAS-B Slipped IB Strand, [U-98% 13C; U-98% 15N], 900 uM; TRIS 50 mM; sodium chloride 17 mM; DTT 5 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 17 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

NMRView v5.2.2, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

ARIA v2.1, Linge, O'Donoghue and Nilges - chemical shift assignment, structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 800 MHz