Ligand · OPX

OPX · (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid

OPX, (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid (C12 H23 N O5 S, 293.4 g/mol), in the MolNFT structures on GenesisL1: bound in 16 records (8 PDB entries). Every binding site with its residues within 4.5…

Component: OPX
Formula: C12 H23 N O5 S
Class: ligand
Structures: 16
PDB entries: 8

Binding sites

OPX in 16 structures; the first of them:

4XE9 · Crystal structure of the NanB sialidase from Streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, LYS334, GLN494, ALA497, LYS499, ILE596, SER599 and 5 more
4XHX · Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with… · OPX A702 · binds TYR250, THR251, GLN494, ALA497, LYS499, ILE596, THR657, GLU658 and 3 more
4XIL · Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, GLN494, ALA497, LYS499, ILE596, THR657, GLU658 and 3 more
4XJ9 · Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, GLN494, ALA497, LYS499, ILE596, THR657, GLU658 and 3 more
4XJA · Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, GLN494, ALA497, ILE596, SER599, THR657, GLU658 and 3 more
4XJW · Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, GLN494, ALA497, LYS499, ILE596, SER599, THR657 and 4 more
4XMA · Crystal structure of the K499G mutant of NanB sialidase from streptococcus pneumoniae in… · OPX A704 · binds TYR250, THR251, GLN494, ALA497, ILE596, SER599, THR657, GLU658 and 3 more
4XOG · CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH… · OPX A702 · binds TYR250, THR251, LYS334, GLN494, ALA497, LYS499, ILE596, SER599 and 5 more
4XE9 · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, LYS334, GLN494, ALA497, LYS499, ILE596, SER599 and 5 more
4XHX · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · OPX A702 · binds TYR250, THR251, GLN494, ALA497, LYS499, ILE596, THR657, GLU658 and 3 more
4XIL · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, GLN494, ALA497, LYS499, ILE596, THR657, GLU658 and 3 more
4XJ9 · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, GLN494, ALA497, LYS499, ILE596, THR657, GLU658 and 3 more
4XJA · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, GLN494, ALA497, ILE596, SER599, THR657, GLU658 and 3 more
4XJW · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · OPX A701 · binds TYR250, THR251, GLN494, ALA497, LYS499, ILE596, SER599, THR657 and 4 more
4XMA · Crystal structure of the K499G mutant of nanb sialidase from streptococcus pneumoniae in… · OPX A704 · binds TYR250, THR251, GLN494, ALA497, ILE596, SER599, THR657, GLU658 and 3 more
4XOG · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · OPX A702 · binds TYR250, THR251, LYS334, GLN494, ALA497, LYS499, ILE596, SER599 and 5 more

Residues it binds most

THR 16, ALA 16, GLN 16, GLU 16, HIS 16, ILE 16, LEU 16, LYS 12, PRO 16, TYR 16 (residue and the binding sites it lines).

Found with

DMS · Dimethyl sulfoxide
PO4 · Phosphate ion
DAN · 2-deoxy-2,3-dehydro-N-acetyl-neuraminic acid
JKK · 2-[(3-chlorobenzyl)amino]ethanesulfonic acid
SFJ · (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid

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