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Ligand · AXI

AXI · Axitinib

AXI, Axitinib (C22 H18 N4 O S, 386.5 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
AXI
Formula
C22 H18 N4 O S
Class
ligand
Structures
8
PDB entries
4

Binding sites

AXI in 8 structures; the first of them:

  • 4AG8 · CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH AXITINIB (AG-013736)… · AXI A2000 · binds LEU840, VAL848, ALA866, VAL867, LYS868, GLU885, LEU889, VAL899 and 12 more
  • 4AGC · CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH AXITINIB… · AXI A2000 · binds ILE804, LEU840, VAL848, ALA866, VAL867, LYS868, GLU885, LEU889 and 13 more
  • 4TWP · The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with… · AXI A601 · binds LEU248, GLY249, TYR253, VAL256, ALA269, LYS271, GLU286, ILE315 and 11 more
  • 4WA9 · The crystal structure of human abl1 wild type kinase domain in complex with axitinib · AXI B9000 · binds LEU248, GLY249, TYR253, VAL256, ALA269, LYS271, THR315, GLU316 and 8 more
  • 4AG8 · Crystal structure of the VEGFR2 kinase domain in complex with axitinib (ag-013736)… · AXI A2000 · binds LEU840, VAL848, ALA866, VAL867, LYS868, GLU885, LEU889, VAL899 and 12 more
  • 4AGC · Crystal structure of VEGFR2 (juxtamembrane and kinase domains) in complex with axitinib… · AXI A2000 · binds ILE804, LEU840, VAL848, ALA866, VAL867, LYS868, GLU885, LEU889 and 13 more
  • 4TWP · The crystal structure of human ABL1 T315I gatekeeper mutant kinase domain in complex with… · AXI A601 · binds LEU248, GLY249, TYR253, VAL256, ALA269, LYS271, GLU286, ILE315 and 11 more
  • 4WA9 · The crystal structure of human ABL1 wild type kinase domain in complex with axitinib · AXI B9000 · binds LEU248, GLY249, TYR253, VAL256, ALA269, LYS271, THR315, GLU316 and 8 more

Residues it binds most

LEU 12, VAL 12, PHE 12, ALA 12, GLU 12, GLY 12, LYS 12, TYR 8, THR 8, ASN 8 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NI · Nickel (II) ion

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