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Ligand · GBA

GBA · 8-bromoadenosine

GBA, 8-bromoadenosine (C10 H12 Br N5 O4, 346.1 g/mol), in the MolNFT structures on GenesisL1: bound in 11 records (10 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
GBA
Formula
C10 H12 Br N5 O4
Class
ligand
Structures
11
PDB entries
10

Binding sites

GBA in 11 structures; the first of them:

  • 6DFO · Crystal structure of human GRP78 in complex with 8-bromoadenosine · GBA A501 · binds THR38, TYR39, ILE61, LEU225, GLY226, GLY227, GLY255, GLU256 and 10 more
  • 7GY4 · Crystal Structure of HSP72 in complex with ligand 10 at 1.14 MGy X-ray dose. · GBA A403 · binds THR14, TYR15, GLY201, GLY202, GLY230, GLU231, GLU268, LYS271 and 7 more
  • 7GY5 · Crystal Structure of HSP72 in complex with ligand 10 at 2.28 MGy X-ray dose. · GBA A403 · binds THR14, TYR15, GLY202, GLY230, GLU231, GLU268, LYS271, ARG272 and 6 more
  • 7GY6 · Crystal Structure of HSP72 in complex with ligand 10 at 3.42 MGy X-ray dose. · GBA A403 · binds THR14, TYR15, GLY202, GLY230, GLU268, LYS271, ARG272, SER275 and 4 more
  • 7GY7 · Crystal Structure of HSP72 in complex with ligand 10 at 4.56 MGy X-ray dose. · GBA A403 · binds THR14, TYR15, GLY202, GLY230, GLU268, LYS271, ARG272, SER275 and 4 more
  • 7GY8 · Crystal Structure of HSP72 in complex with ligand 10 at 5.70 MGy X-ray dose. · GBA A403 · binds THR14, TYR15, GLY202, GLY230, GLU231, GLU268, LYS271, ARG272 and 6 more
  • 7GYB · Crystal Structure of HSP72 in complex with ligand 10 at 9.12 MGy X-ray dose. · GBA A403 · binds THR14, TYR15, GLY202, GLY230, GLU231, GLU268, LYS271, ARG272 and 6 more
  • 7GYD · Crystal Structure of HSP72 in complex with ligand 10 at 11.40 MGy X-ray dose. · GBA A403 · binds THR14, TYR15, GLY201, GLY202, GLY230, GLU231, ASP234, GLU268 and 8 more
  • 7GYE · Crystal Structure of HSP72 in complex with ligand 10 at 12.54 MGy X-ray dose. · GBA A403 · binds THR14, TYR15, GLY201, GLY202, GLY230, GLU231, GLU268, LYS271 and 7 more
  • 7GYF · Crystal Structure of HSP72 in complex with ligand 10 at 13.68 MGy X-ray dose. · GBA A403 · binds THR14, GLY202, GLY230, GLU268, LYS271, ARG272, SER275, GLY339 and 3 more
  • 6DFO · Crystal structure of human GRP78 in complex with 8-bromoadenosine · GBA A501 · binds TYR39, ILE61, GLY226, GLY227, GLY255, GLU256, GLU293, LYS296 and 6 more

Residues it binds most

GLY 13, ARG 13, SER 13, GLU 13, ILE 13, LYS 13, TYR 12, THR 10, ASP 8, LEU 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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