BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 16839

Click here to enlarge.

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

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry

Title: Solution structure of the human chemokine CCL27   PubMed: 20200157

Deposition date: 2010-04-06 Original release date: 2010-05-10

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

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).

Assembly members:
chemokine CCL27, polymer, 88 residues, 10166.014 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

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

Data sets:
Data typeCount
13C chemical shifts409
15N chemical shifts95
1H chemical shifts663

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1chemokine CCL271

Entities:

Entity 1, chemokine CCL27 88 residues - 10166.014 Da.

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

1   PHELEULEUPROPROSERTHRALACYSCYS
2   THRGLNLEUTYRARGLYSPROLEUSERASP
3   LYSLEULEUARGLYSVALILEGLNVALGLU
4   LEUGLNGLUALAASPGLYASPCYSHISLEU
5   GLNALAPHEVALLEUHISLEUALAGLNARG
6   SERILECYSILEHISPROGLNASNPROSER
7   LEUSERGLNTRPPHEGLUHISGLNGLUARG
8   LYSLEUHISGLYTHRLEUPROLYSLEUASN
9   PHEGLYMETLEUARGLYSMETGLY

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HN(CO)CACBsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D intra-HNCAsample_2isotropicsample_conditions_1
3D (H)NNH-NOESYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D H(C)CH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
3D Me-H(C)CH-TOCSYsample_2isotropicsample_conditions_1
3D Me-(H)CCH-TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C CT-HSQCsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_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, . - 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

Related Database Links:

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

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts