BMRB Entry 5729

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PDB ID: 1k76
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5729
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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:

Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble of the Sem-5 C-terminal SH3 Domain

Deposition date:

2003-03-10

Original release date:

2003-08-08

Authors:

Chu, Josephine; Volk, David; Luxon, Bruce; Gorenstein, David; Hilser, Vincent

Citation:

Citation: Ferreon, Josephine; Volk, David; Luxon, Bruce; Gorenstein, David; Hilser, Vincent. "Solution Structure, Dynamics, and Thermodynamics of the Native State Ensemble of the Sem-5 C-terminal SH3 Domain" Biochemistry 42, 5582-5591 (2003).
PubMed: 12741814

Assembly members:

Assembly members:
SH3 Domain, polymer, 62 residues, Formula weight is not available

Natural source:

Natural source: Common Name: 6239 Taxonomy ID: C. elegans Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Caenorhabditis elegans

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 Domain: HMETKFVEALFDFNPQESGE LAFKRGDVITLINKDDPNWW EGQLNNRRGIFPSNYVAPYN SN

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
13C chemical shifts	293
15N chemical shifts	68
1H chemical shifts	439

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SH3 subunit 1, monomer	1

Entities:

Entity 1, SH3 subunit 1, monomer 62 residues - Formula weight is not available

1

HIS

MET

GLU

THR

LYS

PHE

VAL

GLU

ALA

LEU

2

PHE

ASP

PHE

ASN

PRO

GLN

GLU

SER

GLY

GLU

3

LEU

ALA

PHE

LYS

ARG

GLY

ASP

VAL

ILE

THR

4

LEU

ILE

ASN

LYS

ASP

PRO

ASN

TRP

5

GLU

GLY

GLN

LEU

ASN

ARG

GLY

ILE

6

PHE

PRO

SER

ASN

TYR

VAL

ALA

PRO

TYR

ASN

7

SER

ASN

Samples:

sample_1: SH3 Domain, [U-95% 13C; U-95% 15N], 2.0 mM

Ex-cond_1: pH: 4.8; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions

Software:

No software information available

NMR spectrometers:

Varian UnityPlus 400 MHz
Varian UnityPlus 750 MHz