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Ligand · TB1

TB1 · (3S)-3-(benzyloxy)-L-aspartic acid

TB1, (3S)-3-(benzyloxy)-L-aspartic acid (C11 H13 N O5, 239.2 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
TB1
Formula
C11 H13 N O5
Class
ligand
Structures
8
PDB entries
5

Binding sites

TB1 in 8 structures; the first of them:

  • 2NWW · Crystal structure of GltPh in complex with TBOA · TB1 A423 · binds ARG276, SER277, SER278, MET311, THR314, GLY357, ALA358, GLY359 and 4 more
  • 6X16 · Inward-facing state of the glutamate transporter homologue GltPh in complex with TBOA · TB1 B502 · binds ARG276, SER277, SER278, MET311, THR314, ALA348, SER349, THR352 and 11 more
  • 6XWN · Structure of glutamate transporter homologue GltTk in the presence of TBOA inhibitor · TB1 B501 · binds ARG278, SER279, SER280, SER281, THR311, MET314, THR317, THR355 and 8 more
  • 7UG0 · TBOA-bound GltPh RSMR mutant in IFS state · TB1 A501 · binds SER276, SER277, SER278, MET311, THR314, ALA353, VAL355, ALA358 and 6 more
  • 7UGJ · TBOA-bound GltPh RSMR mutant in OFS state · TB1 A501 · binds SER276, SER277, SER278, MET311, THR314, GLY357, ALA358, GLY359 and 4 more
  • 2NWW · Crystal structure of gltph in complex with tboa · TB1 A423 · binds ARG276, SER277, SER278, MET311, THR314, GLY357, ALA358, GLY359 and 4 more
  • 6X16 · Inward-facing state of the glutamate transporter homologue gltph in complex with tboa · TB1 B502 · binds SER277, SER278, MET311, THR314, SER349, THR352, GLY354, VAL355 and 9 more
  • 6XWN · Structure of glutamate transporter homologue glttk in the presence of tboa inhibitor · TB1 B501 · binds ARG278, SER279, SER280, THR311, MET314, THR317, THR355, VAL358 and 3 more

Residues it binds most

THR 18, SER 18, GLY 17, ARG 18, MET 17, ALA 17, ASP 18, ASN 17, VAL 9, PRO 6 (residue and the binding sites it lines).

Found with

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
  • NA · Sodium ion

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