BMRB Entry 16839

Name: Solution structure of the human chemokine CCL27
Published: 2010-05-10

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PDB ID: 2kum
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16839
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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:

Solution structure of the human chemokine CCL27

Deposition date:

2010-04-06

Original release date:

2010-05-10

Authors:

Kirkpatrick, John; Jansma, Ariane; Hsu, Andro; Handel, Tracy; Nietlispach, Daniel

Citation:

Citation: Jansma, Ariane; Kirkpatrick, John; Hsu, Andro; Handel, Tracy; Nietlispach, Daniel. "NMR analysis of the structure, dynamics and unique oligomerization properties of the chemokine CCL27" J. Biol. Chem. 285, 14424-14437 (2010).
PubMed: 20200157

Assembly members:

Assembly members:
chemokine CCL27, polymer, 88 residues, 10166.014 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: pHUE

Entity Sequences (FASTA):

Entity Sequences (FASTA):
chemokine CCL27: FLLPPSTACCTQLYRKPLSD KLLRKVIQVELQEADGDCHL QAFVLHLAQRSICIHPQNPS LSQWFEHQERKLHGTLPKLN FGMLRKMG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	409
15N chemical shifts	95
1H chemical shifts	663

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	chemokine CCL27	1

Entities:

Entity 1, chemokine CCL27 88 residues - 10166.014 Da.

This is the mature form of the CCL27 gene product (residues 25-112).

1

PHE

LEU

PRO

SER

THR

ALA

CYS

2

THR

GLN

LEU

TYR

ARG

LYS

PRO

LEU

SER

ASP

3

LYS

LEU

ARG

LYS

VAL

ILE

GLN

VAL

GLU

4

LEU

GLN

GLU

ALA

ASP

GLY

ASP

CYS

HIS

LEU

5

GLN

ALA

PHE

VAL

LEU

HIS

LEU

ALA

GLN

ARG

6

SER

ILE

CYS

ILE

HIS

PRO

GLN

ASN

PRO

SER

7

LEU

SER

GLN

TRP

PHE

GLU

HIS

GLN

GLU

ARG

8

LYS

LEU

HIS

GLY

THR

LEU

PRO

LYS

LEU

ASN

9

PHE

GLY

MET

LEU

ARG

LYS

MET

GLY

Samples:

sample_1: CCL27, [U-15N], 1.05 mM; EDTA, [U-2H], 0.1 mM; H2O 95%; D2O 5%

sample_2: CCL27, [U-13C; U-15N], 0.5 mM; EDTA, [U-2H], 0.1 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.3 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_2	isotropic	sample_conditions_1
3D HN(CA)CO	sample_2	isotropic	sample_conditions_1
3D intra-HNCA	sample_2	isotropic	sample_conditions_1
3D (H)NNH-NOESY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_2	isotropic	sample_conditions_1
3D C(CO)NH	sample_2	isotropic	sample_conditions_1
3D H(C)CH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D Me-H(C)CH-TOCSY	sample_2	isotropic	sample_conditions_1
3D Me-(H)CCH-TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C CT-HSQC	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

xwinnmr v2.6, Bruker Biospin - collection

AZARA v2.7, Boucher - processing

ANALYSIS, CCPN - chemical shift assignment, data analysis, peak picking

ARIA v1.2, Linge, O'Donoghue and Nilges - refinement, structure solution

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker DRX 500 MHz
Bruker DRX 600 MHz
Bruker DRX 800 MHz

PDB	2KUM
DBJ	BAA87046
EMBL	CAB46983
GB	AAD41238 AAI48264 AAI66648 AAN76082 AAX36370
REF	NP_001028048 NP_006655 XP_002819716 XP_003282501 XP_003829860
SP	Q9Y4X3
AlphaFold	Q9Y4X3