BMRB Entry 17245

Name: Solution Structure of the Chemokine CCL21
Published: 2012-02-03

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PDB ID: 2l4n
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17245
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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 Chemokine CCL21

Deposition date:

2010-10-10

Original release date:

2012-02-03

Authors:

Veldkamp, C.; Peterson, F.; Love, M.; Sandberg, J.

Citation:

Citation: Love, Melissa; Sandberg, Jamie; Ziarek, Joshua; Gerarden, Kyle; Rode, Renee; Jensen, Davin; McCaslin, Darrell; Peterson, Francis; Veldkamp, Christopher. "Solution Structure of CCL21 and Identification of a Putative CCR7 Binding Site." Biochemistry 51, 733-735 (2012).
PubMed: 22221265

Assembly members:

Assembly members:
CCL21_SLC_6Ckine_Exodus-2, polymer, 113 residues, 12519.708 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: pQE30-8HT-SMT3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CCL21_SLC_6Ckine_Exodus-2: SDGGAQDCCLKYSQRKIPAK VVRSYRKQEPSLGCSIPAIL FLPRKRSQAELCADPKELWV QQLMQHLDKTPSPQKPAQGC RKDRGASKTGKKGKGSKGCK RTERSQTPKGPKL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	441
15N chemical shifts	99
1H chemical shifts	684

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CCL21_SLC_6Ckine_Exodus-2	1

Entities:

Entity 1, CCL21_SLC_6Ckine_Exodus-2 113 residues - 12519.708 Da.

1

SER

ASP

GLY

ALA

GLN

ASP

CYS

LEU

2

LYS

TYR

SER

GLN

ARG

LYS

ILE

PRO

ALA

LYS

3

VAL

ARG

SER

TYR

ARG

LYS

GLN

GLU

PRO

4

SER

LEU

GLY

CYS

SER

ILE

PRO

ALA

ILE

LEU

5

PHE

LEU

PRO

ARG

LYS

ARG

SER

GLN

ALA

GLU

6

LEU

CYS

ALA

ASP

PRO

LYS

GLU

LEU

TRP

VAL

7

GLN

LEU

MET

GLN

HIS

LEU

ASP

LYS

THR

8

PRO

SER

PRO

GLN

LYS

PRO

ALA

GLN

GLY

CYS

9

ARG

LYS

ASP

ARG

GLY

ALA

SER

LYS

THR

GLY

10

LYS

GLY

LYS

GLY

SER

LYS

GLY

CYS

LYS

11

ARG

THR

GLU

ARG

SER

GLN

THR

PRO

LYS

GLY

12

PRO

LYS

LEU

Samples:

sample_1: CCL21_SLC_6Ckine_Exodus-2, [U-100% 13C; U-100% 15N], 0.500 mM; D2O 10%; MES, [U-2H], 25 mM; sodium azide 0.02%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 21 mM; pH: 6.1; 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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

XEASY, Bartels et al. - chemical shift assignment, data analysis

GARANT, Bartels, Guntert, Billeter and Wuthrich - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

xwinnmr, Bruker Biospin - collection

NMR spectrometers:

Bruker DRX 500 MHz

PDB	2L4N
DBJ	BAA21817 BAG34842 BAG72999
EMBL	CAA06653 CAG29322
GB	AAB86594 AAB91454 AAH27918 AAQ13417 AAQ89246
REF	NP_002980 XP_001164162 XP_003263432 XP_003829862 XP_004048021
SP	O00585
AlphaFold	O00585