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Ligand · ZA3

ZA3 · Trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron

ZA3, Trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron (C8 H10 B N2 O6 -1, 241.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
ZA3
Formula
C8 H10 B N2 O6 -1
Class
ligand
Structures
4
PDB entries
2

Binding sites

ZA3 in 4 structures; the first of them:

  • 2Y2I · Penicillin-binding protein 1B (pbp-1B) in complex with an alkyl boronate (ZA3) · ZA3 A1000 · binds SER457, ALA459, SER460, LYS463, PHE490, SER516, ASN518, SER553 and 7 more
  • 2Y59 · Unexpected tricovalent binding mode of boronic acids within the active site of a… · ZA3 A501 · binds ALA48, SER49, LYS52, ASP142, TYR147, SER298, ASN300, LEU349 and 4 more
  • 2Y2I · Penicillin-binding protein 1B (pbp-1B) in complex with an alkyl boronate (ZA3) · ZA3 A1000 · binds SER457, ALA459, SER460, LYS463, PHE490, SER516, ASN518, SER553 and 7 more
  • 2Y59 · Unexpected tricovalent binding mode of boronic acids within the active site of a… · ZA3 A501 · binds ALA48, SER49, LYS52, ASP142, TYR147, SER298, ASN300, LEU349 and 4 more

Residues it binds most

SER 10, GLY 10, THR 10, LYS 8, ALA 10, MET 10, LEU 8, TYR 8, ASN 6, ASP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • MG · Magnesium ion
  • NA · Sodium ion
  • CL · Chloride ion

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