BMRB Entry 16507

Name: NMR structure of mouse Par3-PDZ3 in complex with VE-Cadherin C-terminus
Published: 2010-01-28

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PDB ID: 2koh
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16507
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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:

NMR structure of mouse Par3-PDZ3 in complex with VE-Cadherin C-terminus

Deposition date:

2009-09-22

Original release date:

2010-01-28

Authors:

Volkman, B.; Tyler, R.; Peterson, F.

Citation:

Citation: Tyler, Robert; Peterson, Francis; Volkman, Brian. "Distal interactions within the par3-VE-cadherin complex." Biochemistry 49, 951-957 (2010).
PubMed: 20047332

Assembly members:

Assembly members:
MmPar3_PDZ3, polymer, 111 residues, 11905.506 Da.
MmVE-Cadherin, polymer, 16 residues, 1821.067 Da.

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE30-SMT

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MmPar3_PDZ3: GSDGTREFLTFEVPLNDSGS AGLGVSVKGNRSKENHADLG IFVKSIINGGAASKDGRLRV NDQLIAVNGESLLGKANQEA METLRRSMSTEGNKRGMIQL IVARRISRCNE
MmVE-Cadherin: MLAELYGSDPQEELII

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	499
15N chemical shifts	137
1H chemical shifts	841

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MmPar3 PDZ3	1
2	MmVE-Cadherin	2

Entities:

Entity 1, MmPar3 PDZ3 111 residues - 11905.506 Da.

The N-terminal GS dipeptide is a cloning artifact.

1

GLY

SER

ASP

GLY

THR

ARG

GLU

PHE

LEU

THR

2

PHE

GLU

VAL

PRO

LEU

ASN

ASP

SER

GLY

SER

3

ALA

GLY

LEU

GLY

VAL

SER

VAL

LYS

GLY

ASN

4

ARG

SER

LYS

GLU

ASN

HIS

ALA

ASP

LEU

GLY

5

ILE

PHE

VAL

LYS

SER

ILE

ASN

GLY

6

ALA

SER

LYS

ASP

GLY

ARG

LEU

ARG

VAL

7

ASN

ASP

GLN

LEU

ILE

ALA

VAL

ASN

GLY

GLU

8

SER

LEU

GLY

LYS

ALA

ASN

GLN

GLU

ALA

9

MET

GLU

THR

LEU

ARG

SER

MET

SER

THR

10

GLU

GLY

ASN

LYS

ARG

GLY

MET

ILE

GLN

LEU

11

ILE

VAL

ALA

ARG

ILE

SER

ARG

CYS

ASN

12

GLU

Entity 2, MmVE-Cadherin 16 residues - 1821.067 Da.

1

MET

LEU

ALA

GLU

LEU

TYR

GLY

SER

ASP

PRO

2

GLN

GLU

LEU

ILE

Samples:

sample_1: MmPar3 PDZ3, [U-100% 13C; U-100% 15N], 1 mM; MmVE-Cadherin 2 mM; sodium phosphate 20 mM; sodium chloride 50 mM; D2O 10%; sodium azide 0.02%; H2O 90%

sample_2: MmVE-Cadherin, [U-100% 13C; U-100% 15N], 1 mM; MmPar3 PDZ3 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; D2O 10%; sodium chloride 0.02%; H2O 90%

sample_conditions_1: ionic strength: 53 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D_15N-separated_NOESY	sample_1	isotropic	sample_conditions_1
3D_13C-separated_NOESY	sample_1	isotropic	sample_conditions_1
3D_13C-separated_NOESY (AROMATIC)	sample_1	isotropic	sample_conditions_1
3D_15N-separated_NOESY	sample_2	isotropic	sample_conditions_1
3D_13C-separated_NOESY	sample_2	isotropic	sample_conditions_1
3D_13C-separated_NOESY (AROMATIC)	sample_2	isotropic	sample_conditions_1
3D_13C-F1-filtered_13C-F3-separated_NOESY	sample_2	isotropic	sample_conditions_1
3D_13C-F1-filtered_13C-F3-separated_NOESY	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR NIH v2.9.3, SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. - refinement

TOPSPIN v2.1, Bruker - collection

NMRPipe v2007, Delagio,F. et al. - processing

XEASY v1.3, Eccles, C., Guntert, P., Billeter, M., Wuthrich, K. - data analysis

GARANT v2.1, C. Bartels - data analysis

CYANA v2.1, Guntert, P. - structural calculation

NMR spectrometers:

Bruker Avance II 600 MHz

PDB	2K1Z 2K20 2KOH 2KOH
REF	XP_009513481 XP_009571943 NP_001100877 NP_033998 XP_006530693
DBJ	BAA22617 BAE39672
EMBL	CAA58782
GB	AAH54790 EDL11198 EDL87251
PRF	2208309A
SP	P55284
AlphaFold	P55284