BMRB Entry 6300

Name: Solution structure of rat Kalirin N-terminal SH3 domain
Published: 2007-03-22

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PDB ID: 1u3o
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6300
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of rat Kalirin N-terminal SH3 domain

Deposition date:

2004-08-26

Original release date:

2007-03-22

Authors:

Schiller, M.; Chakrabarti, K.; King, G.; Schiller, N.; Eipper, B.; Maciejewski, M.

Citation:

Citation: Schiller, M.; Chakrabarti, K.; King, G.; Schiller, N.; Eipper, B.; Maciejewski, M.. "Regulation of RhoGEF activity by intramolecular and intermolecular SH3 domain interactions" J. Biol. Chem. 281, 18774-18786 (2006).
PubMed: 16644733

Assembly members:

Assembly members:
Kalirin, polymer, 82 residues, Formula weight is not available

Natural source:

Natural source: Common Name: 10116 Taxonomy ID: Norway rat Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Kalirin: GPLGSPGIPGSTLSGGCELT VVLQDFSAAHSSELSIQVGQ TVELLERPSERPGWCLVRTT ERSPPQEGLVPSSTLCISHS RS

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
13C chemical shifts	314
15N chemical shifts	78
1H chemical shifts	502

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Kalirin	1

Entities:

Entity 1, Kalirin 82 residues - Formula weight is not available

1

GLY

PRO

LEU

GLY

SER

PRO

GLY

ILE

PRO

GLY

2

SER

THR

LEU

SER

GLY

CYS

GLU

LEU

THR

3

VAL

LEU

GLN

ASP

PHE

SER

ALA

HIS

4

SER

GLU

LEU

SER

ILE

GLN

VAL

GLY

GLN

5

THR

VAL

GLU

LEU

GLU

ARG

PRO

SER

GLU

6

ARG

PRO

GLY

TRP

CYS

LEU

VAL

ARG

THR

7

GLU

ARG

SER

PRO

GLN

GLU

GLY

LEU

VAL

8

PRO

SER

THR

LEU

CYS

ILE

SER

HIS

SER

9

ARG

SER

Samples:

sample_1: Kalirin, [U-15N], 0.4 mM; HEPES 50 mM; NaCl 150 mM; dithiotheitol 1 mM; H2O 92.5%; D2O 7.5%

sample_2: Kalirin, [U-13C; U-15N], 1 mM; HEPES 50 mM; NaCl 150 mM; dithiotheitol 1 mM; H2O 92.5%; D2O 7.5%

sample_cond_1: ionic strength: 200 mM; pH: 6.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNHA	not available	not available	not available
HNHB	not available	not available	not available
3D HN(CO)CACB	not available	not available	not available
3D C(CO)NH-TOCSY	not available	not available	not available
3D 15N NOESY-HSQC	not available	not available	not available
3D 13C HSQC-NOESY	not available	not available	not available
3D HNCACB	not available	not available	not available
HC(CO)NH-TOCSY	not available	not available	not available
HCCH-COSY	not available	not available	not available

Software:

DYANA v1.5 - structure solution

CYANA v1.0.0 - structure solution

X-PLOR v3.851 - refinement

NMRPipe v2.3 - processing

XEASY v1.4 - data analysis

TALOS - structure solution

NMR spectrometers:

Varian INOVA 600 MHz