Ligand · BO2
BO2 · N-[(1R)-1-(dihydroxyboryl)-3-methylbutyl]-N-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide
BO2, N-[(1R)-1-(dihydroxyboryl)-3-methylbutyl]-N-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide (C19 H25 B N4 O4, 384.2 g/mol), in the MolNFT structures on GenesisL1: bound in 25 records (14 PDB entries). Every binding site with its residues…
- Component
- BO2
- Formula
- C19 H25 B N4 O4
- Class
- ligand
- Structures
- 25
- PDB entries
- 14
Binding sites
BO2 in 25 structures; the first of them:
- 5CZ7 · Yeast 20S proteasome beta5-T1A beta5-K81R double mutant in complex with Bortezomib… · BO2 H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, CYS31, LYS33 and 9 more
- 5D0X · Yeast 20S proteasome beta5-T1S mutant in complex with Bortezomib · BO2 H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, CYS31, LYS33 and 10 more
- 5L5F · Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in… · BO2 H301 · binds THR1, SER20, THR21, GLN22, CYS31, LYS33, GLY45, ALA46 and 6 more
- 5L5Z · Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133) in… · BO2 H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, CYS31, LYS33 and 9 more
- 5L66 · Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in… · BO2 H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, CYS31, LYS33 and 9 more
- 5LF3 · Human 20S proteasome complex with Bortezomib at 2.1 Angstrom · BO2 H306 · binds THR1, ARG19, ALA20, THR21, GLU22, CYS31, LYS33, GLY45 and 9 more
- 6HWD · Yeast 20S proteasome beta2-G45A mutant in complex with bortezomib · BO2 H301 · binds THR1, SER20, THR21, GLN22, ALA27, CYS31, LYS33, ALA45 and 6 more
Residues it binds most
THR 130, SER 138, ALA 134, GLY 152, LYS 137, ASP 104, LEU 66, ARG 72, PRO 50, MET 77 (residue and the binding sites it lines).
Found with
- MG · Magnesium ion
- CL · Chloride ion
- 1PE · Pentaethylene glycol
- GOL · Glycerol
- ADP · Adenosine-5'-diphosphate
- ATP · Adenosine-5'-triphosphate
- N2E · ~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2, 4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
- K · Potassium ion
- ACT · Acetate ion
- PEG · Di(hydroxyethyl)ether
- PO4 · Phosphate ion
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