Ligand · XR9

XR9 · (9S)-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile

XR9, (9S)-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile (C8 H6 B N O2 -1, 158.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component: XR9
Formula: C8 H6 B N O2 -1
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

XR9 in 1 structure; the first of them:

8R2Z · Structure of CTX-M-15 complexed with benzoxaborole AK-425 · XR9 A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 3 more

Residues it binds most

ASN 1, SER 1, CYS 1, GLU 1, GLY 1, LYS 1, TYR 1 (residue and the binding sites it lines).

Found with

NA · Sodium ion
CL · Chloride ion
SO4 · Sulfate ion
DMS · Dimethyl sulfoxide

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