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Crystal Structure of rat Autotaxin in complex with 3-fluoro-4-[1-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]sulfonylbenzenesulfonamide, i.e. SMILES O=C(N1CC[C@@H](S(=O)(=O)c2c(F)cc(S(=O)(=O)N)cc2)CC1)CCc1ccc(cc1CN1N=NC(=N1)C)C(F)(F)F with IC50=0.00379624 microM

X-ray diffraction
2.54Å resolution
PDB entry 7g2h coloured by chain, front view.
PDB entry 7g2h coloured by chain, side view.
PDB entry 7g2h coloured by chain, top view.
Source organism: Rattus norvegicus
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Autotaxin
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Multimeric state: monomeric
Accessible surface area: 34498.19 Å2
Buried surface area: 3067.32 Å2
Dissociation area: 111.79 Å2
Dissociation energy (ΔGdiss): 0.01 kcal/mol
Dissociation entropy (TΔSdiss): 0.08 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-179148

Macromolecules

Autotaxin
Chain: A
Length: 846 amino acids
Theoretical weight: 97.34 KDa
Source organism: Rattus norvegicus
Expression system: Homo sapiens
UniProt:
  • Canonical: Q64610 (Residues: 28-887; Coverage: 97%)
  • Best match: Q64610-2 (Residues: 28-862)
Gene names: Atx, Enpp2, Npps2
Pfam:
Autotaxin in PDB entry 7g2h, assembly 1, front view.
Autotaxin in PDB entry 7g2h, assembly 1, side view.
Autotaxin in PDB entry 7g2h, assembly 1, top view.
PDBe-KB: UniProt Coverage View: Q64610  
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