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Ligand · HDB

HDB · (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine

HDB, (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine (C11 H16 B N3 O3, 249.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
HDB
Formula
C11 H16 B N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

HDB in 2 structures; the first of them:

  • 1ZMJ · Crystal Structure of the Catalytic Domain of Factor XI in complex with… · HDB A1001 · binds LEU39, CYS40, HIS57, CYS58, ASP189, ALA190, CYS191, LYS192 and 11 more
  • 1ZMJ · Crystal structure of the catalytic domain of factor XI in complex with… · HDB A1001 · binds LEU39, CYS40, HIS57, CYS58, ASP189, ALA190, CYS191, LYS192 and 11 more

Residues it binds most

CYS 2, GLY 2, ALA 2, ASP 2, HIS 2, LEU 2, LYS 2, SER 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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