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Ligand · AVI

AVI · N,N-dimethyl-L-histidine

AVI, N,N-dimethyl-L-histidine (C8 H13 N3 O2, 183.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
AVI
Formula
C8 H13 N3 O2
Class
ligand
Structures
7
PDB entries
4

Binding sites

AVI in 7 structures; the first of them:

  • 4PIN · Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine · AVI A401 · binds TYR39, PHE47, ILE50, TYR56, GLY161, SER162, THR163, ASN166 and 6 more
  • 4PIO · Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine… · AVI A402 · binds TYR39, PHE47, ILE50, TYR56, GLY161, SER162, THR163, ASN166 and 6 more
  • 4X8D · Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine… · AVI A502 · binds HIS134, GLN137, HIS138, THR141, TYR377, TYR380, ASN414, TRP415
  • 8VIL · EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide… · AVI A505 · binds HIS61, HIS154, ILE157, HIS158, THR161, TYR397, ASN400, TYR428 and 3 more
  • 4PIN · Ergothioneine-biosynthetic methyltransferase egtd in complex with N,N- dimethylhistidine · AVI A401 · binds TYR39, PHE47, ILE50, TYR56, GLY161, SER162, THR163, ASN166 and 6 more
  • 4PIO · Ergothioneine-biosynthetic methyltransferase egtd in complex with N,N- dimethylhistidine… · AVI A402 · binds TYR39, PHE47, ILE50, TYR56, GLY161, SER162, THR163, ASN166 and 6 more
  • 4X8D · Ergothioneine-biosynthetic sulfoxide synthase egtb in complex with N… · AVI A502 · binds HIS134, GLN137, HIS138, THR141, TYR377, TYR380, ASN414, TRP415

Residues it binds most

TYR 13, THR 13, PHE 9, SER 8, ASN 13, HIS 5, ILE 9, GLU 8, GLY 8, MET 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • MG · Magnesium ion
  • 3GC · Gamma-glutamylcysteine
  • SAH · S-adenosyl-L-homocysteine
  • CA · Calcium ion
  • MN · Manganese (II) ion
  • PO4 · Phosphate ion
  • GOL · Glycerol
  • FE · Fe (III) ion
  • NA · Sodium ion
  • EDO · 1,2-ethanediol

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