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Ligand · Y45

Y45 · Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses)

Y45, Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses) (C12 H23 O14 P, 422.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
Y45
Formula
C12 H23 O14 P
Class
ligand
Structures
3
PDB entries
3

Binding sites

Y45 in 3 structures; the first of them:

  • 8CAY · PBP AccA from A. tumefaciens Bo542 in complex with Agrocinopine D-like · Y45 A603 · binds PRO44, ILE52, SER53, ASN54, PHE145, TRP178, TYR375, TYR376 and 8 more
  • 8CHC · PBP AccA from A. vitis S4 in complex with Agrocinopine D-like · Y45 A601 · binds VAL44, ILE52, SER53, ASN54, TYR145, TRP178, ASN284, MET372 and 9 more
  • 8CKD · PBP AccA from A. fabrum C58 in complex with agrocinopine D-like · Y45 A602 · binds ASN44, ILE52, SER53, ASN54, TYR145, TRP178, MET372, TYR375 and 10 more

Residues it binds most

TRP 3, ASN 3, TYR 3, SER 3, GLU 3, GLY 3, ILE 3, THR 3, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • Y4H · Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose)
  • NA · Sodium ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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