Ligand · QNA

QNA · (1~{A}~{R},7~{B}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{A},7~{B}-dihydro-1~{H}-cyclopropa[c][1, 2]benzoxaborinine-4-carboxylic acid

QNA, (1~{A}~{R},7~{B}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{A},7~{B}-dihydro-1~{H}-cyclopropa[c][1, 2]benzoxaborinine-4-carboxylic acid (C10 H9 B F O5 -1, 239.0 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB…

Component: QNA
Formula: C10 H9 B F O5 -1
Class: ligand
Structures: 3
PDB entries: 3

Binding sites

QNA in 3 structures; the first of them:

6V1J · Structure of kpc-2 bound to QPX7728 at 1.30 a · QNA A302 · binds PRO107, ILE108, LYS111, TYR129
6V1M · Structure of ndm-1 bound to QPX7728 at 1.05 a · QNA A303 · binds MET67, PHE70, TRP93, HIS120, HIS122, ASP124, HIS189, CYS208 and 5 more
6V1P · Structure of vim-2 bound to QPX7728 at 1.20 a · QNA A401 · binds PHE61, TYR67, TRP87, HIS116, HIS118, ASP120, HIS196, CYS221 and 4 more

Residues it binds most

HIS 3, ASN 3, ASP 3, CYS 3, GLY 3, PHE 3, TRP 3, TYR 3, ARG 2, LYS 2 (residue and the binding sites it lines).

Found with

ZN · Zinc ion
GOL · Glycerol
RM9 · (1ar,7bs)-5-fluoro-2-hydroxy-1,1A,2,7B-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
SO4 · Sulfate ion
ACT · Acetate ion

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