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- PDB-1ha6: NMR Solution Structure of Murine CCL20/MIP-3a Chemokine -

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Basic information

Entry
Database: PDB / ID: 1ha6
TitleNMR Solution Structure of Murine CCL20/MIP-3a Chemokine
ComponentsMACROPHAGE INFLAMMATORY PROTEIN 3 ALPHA
KeywordsIMMUNE SYSTEM / CHEMIOKINE / MOUSE / CCL20/MIP-3A / DEFENSINS
Function / homology
Function and homology information


Chemokine receptors bind chemokines / thymocyte migration / CCR6 chemokine receptor binding / G alpha (i) signalling events / chemokine activity / positive regulation of T cell migration / T cell migration / cytokine activity / cell chemotaxis / calcium-mediated signaling ...Chemokine receptors bind chemokines / thymocyte migration / CCR6 chemokine receptor binding / G alpha (i) signalling events / chemokine activity / positive regulation of T cell migration / T cell migration / cytokine activity / cell chemotaxis / calcium-mediated signaling / chemotaxis / immune response / inflammatory response / extracellular space
Similarity search - Function
Chemokine CC, DCCL motif-cointaining domain / CC chemokine, conserved site / Small cytokines (intercrine/chemokine) C-C subfamily signature. / Chemokine beta/gamma/delta / Intercrine alpha family (small cytokine C-X-C) (chemokine CXC). / Chemokine interleukin-8-like domain / Chemokine interleukin-8-like superfamily / Small cytokines (intecrine/chemokine), interleukin-8 like / OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #40 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) ...Chemokine CC, DCCL motif-cointaining domain / CC chemokine, conserved site / Small cytokines (intercrine/chemokine) C-C subfamily signature. / Chemokine beta/gamma/delta / Intercrine alpha family (small cytokine C-X-C) (chemokine CXC). / Chemokine interleukin-8-like domain / Chemokine interleukin-8-like superfamily / Small cytokines (intecrine/chemokine), interleukin-8 like / OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #40 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
C-C motif chemokine 20
Similarity search - Component
Biological speciesMUS MUSCULUS (house mouse)
MethodSOLUTION NMR / TORSIONAL ANGLE DYNAMICS, MOLECULAR DYNAMICS
AuthorsPerez-Canadillas, J.M. / Zaballos, A. / Gutierrez, J. / Varona, R. / Roncal, F. / Albar, J.P. / Marquez, G. / Bruix, M.
CitationJournal: J.Biol.Chem. / Year: 2001
Title: NMR Solution Structure of Murine Ccl20/Mip3-A, a Chemiokine that Specifically Chemoattracs Immature Dendritic Cells and Lymphocytes Through its Highly Specific Interaction with the Beta-Chemokine Receptor Ccr6
Authors: Perez-Canadillas, J.M. / Zaballos, A. / Gutierrez, J. / Varona, R. / Roncal, F. / Albar, J.P. / Marquez, G. / Bruix, M.
History
DepositionMar 28, 2001Deposition site: PDBE / Processing site: PDBE
Revision 1.0Aug 22, 2001Provider: repository / Type: Initial release
Revision 1.1May 7, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 20, 2024Group: Data collection / Database references ...Data collection / Database references / Other / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_entry_details / pdbx_modification_feature
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_mr / _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: MACROPHAGE INFLAMMATORY PROTEIN 3 ALPHA


Theoretical massNumber of molelcules
Total (without water)7,9701
Polymers7,9701
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 60LOWEST ENERGY
Representative

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Components

#1: Protein MACROPHAGE INFLAMMATORY PROTEIN 3 ALPHA / MIP-3-ALPHA / CC CHEMOKINE LARC


Mass: 7970.392 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) MUS MUSCULUS (house mouse) / References: UniProt: O89093
Compound detailsINVOLVED IN FORMATION AND FUNCTION OF THE MUCOSAL LYMPHOID TISSUES BY ATTRACTING LYMPHOCYTES AND ...INVOLVED IN FORMATION AND FUNCTION OF THE MUCOSAL LYMPHOID TISSUES BY ATTRACTING LYMPHOCYTES AND DENDRITIC CELLS TOWARDS EPITHELIAL CELLS.
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111COSY
121TOCSY
131NOESY

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Sample preparation

Sample conditionsIonic strength: 0.2 / pH: 3.5 / Temperature: 308 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker AMX / Manufacturer: Bruker / Model: AMX / Field strength: 600 MHz

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Processing

NMR software
NameVersionDeveloperClassification
DYANA; GROMOS GROMOSGROMOSGUNTERT; VAN GUSTERENrefinement
DYANAstructure solution
GROMOSstructure solution
RefinementMethod: TORSIONAL ANGLE DYNAMICS, MOLECULAR DYNAMICS / Software ordinal: 1
NMR ensembleConformer selection criteria: LOWEST ENERGY / Conformers calculated total number: 60 / Conformers submitted total number: 20

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