BMRB Entry 10242

Name: Solution structures of the PDZ domain of human Interleukin-16
Published: 2009-11-03

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PDB ID: 1x6d
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR10242
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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 structures of the PDZ domain of human Interleukin-16

Deposition date:

2008-10-24

Original release date:

2009-11-03

Authors:

Sato, M.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.

Citation:

Citation: Sato, M.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution structures of the PDZ domain of human Interleukin-16" .

Assembly members:

Assembly members:
PDZ domain, polymer, 119 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 Vector: P040614-09

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGATLKQLDGIHVTI LHKEEGAGLGFSLAGGADLE NKVITVHRVFPNGLASQEGT IQKGNEVLSINGKSLKGTTH HDALAILRQAREPRQAVIVT RKLTPEAMPDLNSSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	456
15N chemical shifts	111
1H chemical shifts	747

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PDZ domain	1

Entities:

Entity 1, PDZ domain 119 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ALA

THR

LEU

2

LYS

GLN

LEU

ASP

GLY

ILE

HIS

VAL

THR

ILE

3

LEU

HIS

LYS

GLU

GLY

ALA

GLY

LEU

GLY

4

PHE

SER

LEU

ALA

GLY

ALA

ASP

LEU

GLU

5

ASN

LYS

VAL

ILE

THR

VAL

HIS

ARG

VAL

PHE

6

PRO

ASN

GLY

LEU

ALA

SER

GLN

GLU

GLY

THR

7

ILE

GLN

LYS

GLY

ASN

GLU

VAL

LEU

SER

ILE

8

ASN

GLY

LYS

SER

LEU

LYS

GLY

THR

HIS

9

HIS

ASP

ALA

LEU

ALA

ILE

LEU

ARG

GLN

ALA

10

ARG

GLU

PRO

ARG

GLN

ALA

VAL

ILE

VAL

THR

11

ARG

LYS

LEU

THR

PRO

GLU

ALA

MET

PRO

ASP

12

LEU

ASN

SER

GLY

PRO

SER

GLY

Samples:

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

condition_1: ionic strength: 120 mM; pH: 7.0; 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:

xwinnmr v3.5, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

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

Kujira v0.9295, Kobayashi, N. - data analysis

CYANA v1.0.7, Guntert, P. - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 700 MHz

PDB	1X6D
DBJ	BAG54724
GB	AAH50362 ACI00236