› 2k03

Solution NMR

Structure of SDF1 in complex with the CXCR4 N-terminus containing a sulfotyrosine at postition 21

Released:
DOI: 10.2210/pdb2k03/pdb
PDB entry 2k03 coloured by chain, ensemble of 20 models, front view.
PDB entry 2k03 coloured by chain, ensemble of 20 models, side view.
PDB entry 2k03 coloured by chain, ensemble of 20 models, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of CXCR4 sulfotyrosine recognition by the chemokine SDF-1/CXCL12.
Veldkamp CT, Seibert C, Peterson FC, De la Cruz NB, Haugner JC, Basnet H, Sakmar TP, Volkman BF
Sci Signal 1 ra4 (2008)
PMID: 18799424

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155707 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Stromal cell-derived factor 1 Chains: A, C
Molecule details ›
Chains: A, C
Length: 70 amino acids
Theoretical weight: 8.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P48061 (Residues: 22-89; Coverage: 94%)
  • Best match: P48061-7 (Residues: 22-38)
Gene names: CXCL12, SDF1, SDF1A, SDF1B
Sequence domains: Small cytokines (intecrine/chemokine), interleukin-8 like
Structure domains: OB fold (Dihydrolipoamide Acetyltransferase, E2P)
C-X-C chemokine receptor type 4 Chains: B, D
Molecule details ›
Chains: B, D
Length: 40 amino acids
Theoretical weight: 4.6 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P61073 (Residues: 1-38; Coverage: 11%)
Gene name: CXCR4
Sequence domains: CXCR4 Chemokine receptor N terminal

Ligands and Environments

No bound ligands
1 modified residue:
Ligand TYS 2 x TYS

Experiments and Validation Details

wwPDB Validation report is not available for this NMR entry.
Chemical shift assignment: 88%
Refinement method: AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT AND ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT.
Expression system: Escherichia coli

Quick links

Citations

39 review citations

The unique structural and functional features of CXCL12.
Janssens et al. (2018)
38 more

6 mentions without citation

Tyrosine sulfation of chemokine receptor CCR2 enhances interactions with both monomeric and dimeric forms of the chemokine monocyte chemoattractant protein-1 (MCP-1).
Tan et al. (2013)
5 more