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Ligand · BUF

BUF · bufalin

BUF, bufalin (C24 H34 O4, 386.5 g/mol), in the MolNFT structures on GenesisL1: bound in 7 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
BUF
Formula
C24 H34 O4
Class
ligand
Structures
7
PDB entries
4

Binding sites

BUF in 7 structures; the first of them:

  • 7D94 · Crystal Structure of the Na+,K+-ATPase in the E2P state with bound one Mg2+ and one Rb+… · BUF A1121 · binds GLN111, GLN119, ASP121, ASN122, LEU125, ILE315, PHE316, GLY319 and 8 more
  • 7DDL · Crystal structures of Na+,K+-ATPase in complex with bufalin · BUF A1121 · binds GLN111, GLN119, ASP121, ASN122, LEU125, ILE315, GLY319, VAL322 and 7 more
  • 7W10 · UGT74AN2 · BUF A503 · binds PHE19, GLU21, HIS24, MET82, TYR85, THR121, PHE190, VAL197 and 4 more
  • 8INV · Crystal structure of UGT74AN3-UDP-BUF · BUF A503 · binds PHE20, HIS25, ILE81, MET84, GLU85, MET88, SER125, GLN146 and 6 more
  • 7D94 · Crystal structure of the NA+,K+-ATPase in the E2P state with bound one MG2+ and one rb+… · BUF A1121 · binds GLN111, GLN119, ASP121, ASN122, LEU125, PHE316, GLY319, VAL322 and 5 more
  • 7DDL · Crystal structures of NA+,K+-ATPase in complex with bufalin · BUF A1121 · binds GLN111, GLN119, ASP121, LEU125, GLY319, VAL322, ALA323, GLU327 and 4 more
  • 7W10 · UGT74AN2 · BUF A503 · binds PHE19, HIS24, MET82, TYR85, PHE190, VAL197, LEU200, LEU201

Residues it binds most

PHE 11, LEU 11, GLN 9, ILE 10, VAL 11, GLU 10, THR 9, ALA 8, GLY 8, ASN 6 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine
  • MG · Magnesium ion
  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • UDP · Uridine-5'-diphosphate
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • RB · Rubidium ion

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