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Ligand · GBN

GBN · [1-(aminomethyl)cyclohexyl]acetic acid

GBN, [1-(aminomethyl)cyclohexyl]acetic acid (C9 H17 N O2, 171.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
GBN
Formula
C9 H17 N O2
Class
ligand
Structures
6
PDB entries
5

Binding sites

GBN in 6 structures; the first of them:

  • 2EJ3 · Crystal Structure of T.th.HB8 Branched-Chain Amino Acid Aminotransferase Complexed with… · GBN A2414 · binds PHE36, TYR95, ARG97, TYR164, GLY196, GLU197, GLY255, THR256 and 2 more
  • 8FD7 · Structure of the human L-type voltage-gated calcium channel Cav1.2 complexed with… · GBN D1202 · binds TRP207, VAL209, TYR219, TRP225, TYR238, ARG243, TRP245, TYR452 and 4 more
  • 2A1H · X-ray crystal structure of human mitochondrial branched chain aminotransferase (bcatm)… · GBN A502 · binds PHE30, PHE75, TYR141, ARG143, LYS202, TYR207, THR240, MET241 and 7 more
  • 2COI · Crystal structure of oxidized human cytosolic branched-chain aminotransferase complexed… · GBN A420 · binds PHE49, PHE95, TYR161, ARG163, TYR193, LYS222, TYR227, THR260 and 7 more
  • 2COJ · Crystal structure of reduced human cytosolic branched-chain aminotransferase complexed… · GBN A420 · binds PHE95, TYR161, ARG163, TYR193, LYS222, TYR227, THR260, MET261 and 6 more
  • 2EJ3 · Crystal structure of T.TH.HB8 branched-chain amino acid aminotransferase complexed with… · GBN A2414 · binds PHE36, TYR95, ARG97, TYR164, GLY196, GLU197, GLY255, THR256 and 2 more

Residues it binds most

TYR 13, ALA 13, GLY 12, THR 12, PHE 12, ARG 13, LEU 7, VAL 7, GLU 6, LYS 6 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • MG · Magnesium ion
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • CLR · Cholesterol
  • WO9 · (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate
  • YSW · (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate
  • CA · Calcium ion
  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • ACY · Acetic acid

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