BMRB Entry 11198

Name: Solution structure of the third PDZ domain of synapse-associated protein 102
Published: 2011-07-20

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PDB ID: 1um7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11198
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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 of the third PDZ domain of synapse-associated protein 102

Deposition date:

2010-07-21

Original release date:

2011-07-20

Authors:

Qin, X.; Nagashima, T.; Hayashi, F.; Yokoyama, S.

Citation:

Citation: Qin, X.; Nagashima, T.; Hayashi, F.; Yokoyama, S.. "Solution structure of the third PDZ domain of synapse-associated protein 102" .

Assembly members:

Assembly members:
PDZ domain, polymer, 113 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free Vector: P021030-42

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGRPGGDAREPRKII LHKGSTGLGFNIVGGEDGEG IFVSFILAGGPADLSGELRR GDRILSVNGVNLRNATHEQA AAALKRAGQSVTIVAQYRPE EYSRFESSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	459
15N chemical shifts	120
1H chemical shifts	728

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	synapse-associated protein 102	1

Entities:

Entity 1, synapse-associated protein 102 113 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ARG

PRO

GLY

2

GLY

ASP

ALA

ARG

GLU

PRO

ARG

LYS

ILE

3

LEU

HIS

LYS

GLY

SER

THR

GLY

LEU

GLY

PHE

4

ASN

ILE

VAL

GLY

GLU

ASP

GLY

GLU

GLY

5

ILE

PHE

VAL

SER

PHE

ILE

LEU

ALA

GLY

6

PRO

ALA

ASP

LEU

SER

GLY

GLU

LEU

ARG

7

GLY

ASP

ARG

ILE

LEU

SER

VAL

ASN

GLY

VAL

8

ASN

LEU

ARG

ASN

ALA

THR

HIS

GLU

GLN

ALA

9

ALA

LEU

LYS

ARG

ALA

GLY

GLN

SER

10

VAL

THR

ILE

VAL

ALA

GLN

TYR

ARG

PRO

GLU

11

GLU

TYR

SER

ARG

PHE

GLU

SER

GLY

PRO

12

SER

GLY

Samples:

sample_1: PDZ domain, [U-13C; U-15N], 1.05 mM; phosphate 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 13C-separated NOESY	sample_1	isotropic	condition_1
3D 15N-separated NOESY	sample_1	isotropic	condition_1

Software:

VNMR v6.1C, varian - collection

NMRPipe v20020425, Delaglio., F. - processing

NMRView v5.0.4, Johnson, B.A. - data analysis

Kujira v0.854, Kobayashi, N. - data analysis

CYANA v1.0.7, Guntert, P. - refinement

NMR spectrometers:

Varian INOVA 800 MHz

PDB	1UM7 3JXT
DBJ	BAA86546 BAG64935 BAH14889
GB	EAX05333 EAX05335 EDL14166
REF	NP_001171250 NP_065781 XP_003484171 XP_003917894 XP_004000645