BMRB Entry 30307

Name: Impact of IR active probes on PDZ3 and its ligand binding studied by NMR and X-ray crystallography
Published: 2017-12-08

Click here to enlarge.

PDB ID: 5w72
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30307
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:

Impact of IR active probes on PDZ3 and its ligand binding studied by NMR and X-ray crystallography

Deposition date:

2017-06-19

Original release date:

2017-12-08

Authors:

Lehner, F.; Kudlinzki, D.; Schwalbe, H.; Silvers, R.

Citation:

Citation: Lehner, F.; Kudlinzki, D.; Richter, C.; Muller-Werkmeister, H.; Eberl, K.; Bredenbeck, J.; Schwalbe, H.; Silvers, R.. "Impact of Azidohomoalanine Incorporation on Protein Structure and Ligand Binding." Chembiochem 18, 2340-2350 (2017).
PubMed: 28950050

Assembly members:

Assembly members:
entity_1, polymer, 102 residues, 11006.229 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FLGEEDIPREPRRIVIHRGS TGLGFNIIGGEDGEGIFISF XLAGGPADLSGELRKGDQIL SVNGVDLRNASHEQAAIALK NAGQTVTIIAQYKPEEYSRF EA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	313
15N chemical shifts	92
1H chemical shifts	614

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 102 residues - 11006.229 Da.

1

PHE

LEU

GLY

GLU

ASP

ILE

PRO

ARG

GLU

2

PRO

ARG

ILE

VAL

ILE

HIS

ARG

GLY

SER

3

THR

GLY

LEU

GLY

PHE

ASN

ILE

GLY

4

GLU

ASP

GLY

GLU

GLY

ILE

PHE

ILE

SER

PHE

5

AZH

LEU

ALA

GLY

PRO

ALA

ASP

LEU

SER

6

GLY

GLU

LEU

ARG

LYS

GLY

ASP

GLN

ILE

LEU

7

SER

VAL

ASN

GLY

VAL

ASP

LEU

ARG

ASN

ALA

8

SER

HIS

GLU

GLN

ALA

ILE

ALA

LEU

LYS

9

ASN

ALA

GLY

GLN

THR

VAL

THR

ILE

ALA

10

GLN

TYR

LYS

PRO

GLU

TYR

SER

ARG

PHE

11

GLU

ALA

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	not available	sample_conditions_1
2D 1H-1H NOESY	sample_1	not available	sample_conditions_1
3D 1H-15N NOESY	sample_1	not available	sample_conditions_1
3D 1H-13C NOESY	sample_1	not available	sample_conditions_1
2D 13C-15N df-NOESY	sample_1	not available	sample_conditions_1
3D 15N edited 13C-15N df-NOESY	sample_1	not available	sample_conditions_1
3D 13C edited 13C-15N df-NOESY	sample_1	not available	sample_conditions_1
3D HNCACB	sample_1	not available	sample_conditions_1
3D HCCCONH	sample_1	not available	sample_conditions_1
3D HNHA	sample_1	not available	sample_conditions_1
3D HNCO	sample_1	not available	sample_conditions_1

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 30307

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: