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Ligand · XY2

XY2 · N,N'-dimethyl-N-(acetyl)-N'-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine

XY2, N,N'-dimethyl-N-(acetyl)-N'-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine (C12 H15 N5 O4, 293.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (6 PDB entries). Every binding site with its residues within 4.5 Å…

Component
XY2
Formula
C12 H15 N5 O4
Class
ligand
Structures
6
PDB entries
6

Binding sites

XY2 in 6 structures; the first of them:

  • 2CE2 · Crystal structure analysis of a fluorescent form of H-RAS P21 in complex with GDP · XY2 X190 · binds SER17, THR20, ILE21, ILE24, GLN25, CYS32, ASP33, ILE36 and 1 more
  • 2CL0 · CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GppNHp · XY2 X332 · binds ASP30, GLU31, CYS32
  • 2CL6 · CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH S-caged GTP · XY2 X332 · binds CYS32
  • 2CL7 · Crystal structure analysis of a fluorescent form of H-RAS P21 in complex with GTP · XY2 X332 · binds CYS32
  • 2CLC · Crystal structure analysis of a fluorescent form of H-RAS P21 in complex with GTP (2) · XY2 X332 · binds CYS32
  • 2EVW · Crystal structure analysis of a fluorescent form of H-Ras p21 in complex with R-caged GTP · XY2 X332 · binds CYS32, PRO34

Residues it binds most

CYS 6, ILE 1, ASP 2, GLN 1, GLU 1, PRO 1, SER 1, THR 1, TYR 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CAG · Guanosine 5'-triphosphate P3-[1-(2-nitrophenyl)ethyl ester]
  • GTP · Guanosine-5'-triphosphate
  • GDP · Guanosine-5'-diphosphate
  • GNP · Phosphoaminophosphonic acid-guanylate ester
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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