1NR4

High resolution crystal structures of thymus and activation-regulated chemokine


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.72 ?
  • R-Value Free: 
    0.239 (Depositor), 0.250 (DCC) 
  • R-Value Work: 
    0.199 (Depositor), 0.210 (DCC) 
  • R-Value Observed: 
    0.201 (Depositor) 

Starting Model: experimental
View more details

wwPDB Validation   3D Report Full Report


This is version 1.6 of the entry. See complete history


Literature

Structures of thymus and activation-regulated chemokine (TARC).

Asojo, O.A.Boulegue, C.Hoover, D.M.Lu, W.Lubkowski, J.

(2003) Acta Crystallogr D Biol Crystallogr 59: 1165-1173

  • DOI: https://doi.org/10.1107/s0907444903009454
  • Primary Citation of Related Structures:  
    1NR2, 1NR4

  • PubMed Abstract: 

    Thymus and activation-regulated chemokine (TARC) is a CC chemokine that is mainly expressed in the thymus. TARC interacts primarily with the CCR4 receptor and to a lesser extent with the CCR8 receptor. The structures of TARC have been solved by molecular replacement in two space groups, triclinic (P1) and tetragonal (P4(1)), and refined to resolutions of 1.72 and 2.1 A, respectively, with R factors of 19.8% (R(free) = 24.1%) and 19.8% (R(free) = 27.7%), respectively. The search model originated from the crystal structure of another chemokine, RANTES, and proved to be only modestly similar to the refined structure of TARC. Whereas the tetragonal structure was easily solved using the program AMoRe, solution of the triclinic structure proved to be quite challenging and was obtained by combining the results from four different molecular-replacement programs (AMoRe, CNS, BEAST and EPMR), with subsequent extension of the gathered information. The tertiary structure of TARC is similar to that of other CC chemokines, with a three-stranded antiparallel beta-sheet flanked by a C-terminal helix. Both quaternary structures consist of dimers, which in the triclinic crystals pack further into tetramers. The TARC dimers are similar to those observed previously in the crystal structures of both MCP-1 and RANTES.


  • Organizational Affiliation

    Macromolecular Crystallography Laboratory, National Cancer Institute at Frederick, Frederick, MD 21702, USA.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Thymus and activation-regulated chemokine
A, B, C, D, E
A, B, C, D, E, F, G, H
71N/AMutation(s): 0 
UniProt & NIH Common Fund Data Resources
Find proteins for Q92583 (Homo sapiens)
Explore Q92583 
Go to UniProtKB:  Q92583
PHAROS:  Q92583
GTEx:  ENSG00000102970 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ92583
Sequence Annotations
Expand
  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.72 ?
  • R-Value Free:  0.239 (Depositor), 0.250 (DCC) 
  • R-Value Work:  0.199 (Depositor), 0.210 (DCC) 
  • R-Value Observed: 0.201 (Depositor) 
Space Group: P 1
Unit Cell:
Length ( ? )Angle ( ? )
a = 44.35¦Á = 69.97
b = 56.525¦Â = 85.56
c = 76.616¦Ă = 72.74
Software Package:
Software NamePurpose
REFMACrefinement
SCALEPACKdata scaling
CNSrefinement
BEASTmodel building
AMoREphasing
EPMRphasing
DENZOdata reduction
CNSphasing
BEASTphasing

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2003-08-05
    Type: Initial release
  • Version 1.1: 2008-04-29
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2018-01-24
    Changes: Database references
  • Version 1.4: 2019-07-24
    Changes: Data collection, Refinement description
  • Version 1.5: 2024-04-03
    Changes: Data collection, Database references, Derived calculations, Refinement description
  • Version 1.6: 2024-10-16
    Changes: Structure summary
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