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Ligand · BTM

BTM · N-benzyl-N,N-diethylethanaminium

BTM, N-benzyl-N,N-diethylethanaminium (C13 H22 N +1, 192.3 g/mol), in the MolNFT structures on GenesisL1: bound in 18 records (11 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
BTM
Formula
C13 H22 N +1
Class
ligand
Structures
18
PDB entries
11

Binding sites

BTM in 18 structures; the first of them:

  • 6AX9 · F95N Epi-isozizaene synthase · BTM A405 · binds LEU72, MET73, ASN95, PHE96, ASP99, TYR172, THR197, PHE198 and 7 more
  • 6AXM · F95Y Epi-isozizaene synthase · BTM A405 · binds LEU72, SER92, TYR95, PHE96, ASP99, TYR172, THR197, PHE198 and 7 more
  • 6AXN · F95C Epi-isozizaene synthase · BTM A405 · binds LEU72, SER92, CYS95, PHE96, ASP99, TYR172, THR197, PHE198 and 8 more
  • 6AXU · W203Y Epi-isozizaene synthase · BTM A401 · binds LEU72, SER92, PHE95, PHE96, ASP99, TYR172, THR197, PHE198 and 7 more
  • 6OFV · F95Q Epi-isozizaene synthase · BTM A405 · binds LEU72, GLN95, PHE96, ASP99, TYR172, THR197, PHE198, ALA199 and 7 more
  • 6VYD · Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and… · BTM A407 · binds PHE67, LEU87, PHE91, ASP94, THR169, GLY170, ALA171, VAL174 and 6 more
  • 7KJG · F96M epi-isozizaene synthase: complex with 3 Mg2+ and BTAC · BTM A406 · binds LEU72, SER92, PHE95, MET96, ASP99, TYR172, THR197, PHE198 and 8 more
  • 8H72 · Class I sesquiterpene synthase DbPROS (complex) · BTM A403 · binds PHE67, LEU70, MET90, PHE93, ILE193, GLY194, ALA195, SER198 and 7 more
  • 8SU4 · F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl… · BTM A409 · binds LEU72, SER92, PHE95, PHE96, ASP99, TYR172, THR197, SER198 and 10 more
  • 8SU5 · F198T epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl… · BTM A401 · binds SER92, PHE95, PHE96, ASP99, TYR172, THR197, THR198, ALA199 and 8 more
  • 8V3K · F95S-F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and… · BTM A406 · binds LEU72, SER95, PHE96, ASP99, TYR172, THR197, SER198, ALA199 and 8 more
  • 6AX9 · F95N epi-isozizaene synthase · BTM A405 · binds LEU72, ASN95, PHE96, TYR172, THR197, PHE198, ASN240, TRP325 and 4 more
  • 6AXM · F95Y epi-isozizaene synthase · BTM A405 · binds LEU72, SER92, TYR95, PHE96, ASP99, TYR172, THR197, PHE198 and 4 more
  • 6AXN · F95C epi-isozizaene synthase · BTM A405 · binds LEU72, CYS95, PHE96, ASP99, TYR172, THR197, PHE198, TRP203 and 4 more
  • 6AXU · W203Y epi-isozizaene synthase · BTM A401 · binds LEU72, PHE95, PHE96, ASP99, TYR172, THR197, PHE198, ALA199 and 6 more
  • 6OFV · F95Q epi-isozizaene synthase · BTM A405 · binds LEU72, GLN95, PHE96, ASP99, TYR172, THR197, PHE198, TRP203 and 5 more
  • 6VYD · Terpenoid cyclase fggs in complex with mg, inorganic pyrophosphate, and… · BTM A407 · binds PHE67, LEU87, PHE91, THR169, VAL174, LEU205, ASN209, GLN287 and 2 more
  • 7KJG · F96M epi-isozizaene synthase: complex with 3 MG2+ and btac · BTM A406 · binds LEU72, PHE95, MET96, ASP99, TYR172, THR197, PHE198, ASN240 and 4 more

Residues it binds most

PHE 21, TYR 21, ASN 21, TRP 18, LEU 20, THR 19, ALA 11, ASP 15, HIS 15, SER 10 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • POP · Pyrophosphate 2-
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • NA · Sodium ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • DPO · Diphosphate

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