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The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t

X-ray diffraction
2.5Å resolution
PDB entry 3odu coloured by chain, front view.
PDB entry 3odu coloured by chain, side view.
PDB entry 3odu coloured by chain, top view.
Source organisms:
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: C-X-C chemokine receptor type 4, Endolysin
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Multimeric state: homo dimer
Accessible surface area: 49165.19 Å2
Buried surface area: 5418.08 Å2
Dissociation area: 1,791.43 Å2
Dissociation energy (ΔGdiss): -6.69 kcal/mol
Dissociation entropy (TΔSdiss): 14.95 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132998

Macromolecules

C-X-C chemokine receptor type 4; Endolysin
Chains: A, B
Length: 502 amino acids
Theoretical weight: 56.96 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P61073 (Residues: 2-229, 230-319; Coverage: 90%)
  • Canonical: P00720 (Residues: 2-161; Coverage: 98%)
    • nullnull
Gene names: CXCR4, E
Pfam:
InterPro:
CATH:
C-X-C chemokine receptor type 4 in PDB entry 3odu, assembly 1, front view.
C-X-C chemokine receptor type 4 in PDB entry 3odu, assembly 1, side view.
C-X-C chemokine receptor type 4 in PDB entry 3odu, assembly 1, top view.
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