BMRB Entry 19960

Name: Solution structure of the human chemokine CCL19
Published: 2015-06-08

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PDB ID: 2mp1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19960
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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 human chemokine CCL19

Deposition date:

2014-05-09

Original release date:

2015-06-08

Authors:

Veldkamp, C.; Peterson, F.; Gabel-Eissens, S.; Gillitzer, M.

Citation:

Citation: Veldkamp, C.; Peterson, F.; Gabel-Eissens, S.; Gillitzer, M.. "Solution structure of the human chemokine CCL19" To be published ., .-..

Assembly members:

Assembly members:
Human_Chemokine_CCL19, polymer, 77 residues, 8814.347 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE30-SMT3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Human_Chemokine_CCL19: GTNDAEDCCLSVTQKPIPGY IVRNFHYLLIKDGCRVPAVV FTTLRGRQLCAPPDQPWVER IIQRLQRTSAKMKRRSS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	267
15N chemical shifts	77
1H chemical shifts	557

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Human Chemokine CCL19	1

Entities:

Entity 1, Human Chemokine CCL19 77 residues - 8814.347 Da.

1

GLY

THR

ASN

ASP

ALA

GLU

ASP

CYS

LEU

2

SER

VAL

THR

GLN

LYS

PRO

ILE

PRO

GLY

TYR

3

ILE

VAL

ARG

ASN

PHE

HIS

TYR

LEU

ILE

4

LYS

ASP

GLY

CYS

ARG

VAL

PRO

ALA

VAL

5

PHE

THR

LEU

ARG

GLY

ARG

GLN

LEU

CYS

6

ALA

PRO

ASP

GLN

PRO

TRP

VAL

GLU

ARG

7

ILE

GLN

ARG

LEU

GLN

ARG

THR

SER

ALA

8

LYS

MET

LYS

ARG

SER

Samples:

sample: Human Chemokine CCL19, [U-100% 13C; U-100% 15N], 0.515 mM; D2O, [U-99% 2H], 10%; dueterated MES, [U-100% 2H], 25 mM

sample_conditions_1: ionic strength: 6 mM; pH: 5.6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	sample	isotropic	sample_conditions_1
3D 13C-separated NOESY	sample	isotropic	sample_conditions_1
3D 13C-separated NOESY (AROMATIC)	sample	isotropic	sample_conditions_1

Software:

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

TopSpin v3.1, 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

CARA v1.8.4, Keller, R. - data analysis

Cyana v3.1, Guntert, P. - structural calculation

NMR spectrometers:

Bruker DRX 600 MHz

PDB	2MP1
DBJ	BAA20383 BAG34886 BAJ20579
EMBL	CAA11307 CAG33149
GB	AAC23905 AAC50944 AAH27968 AAS20190 ABK41949
REF	NP_006265 XP_001164037 XP_002819711 XP_003829861 XP_004048020
SP	Q99731
AlphaFold	Q99731