Ligand · 6M9

6M9 · 2,1-benzoxaborol-1(3H)-ol

6M9, 2,1-benzoxaborol-1(3H)-ol (C7 H7 B O2, 133.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component: 6M9
Formula: C7 H7 B O2
Class: ligand
Structures: 2
PDB entries: 2

Binding sites

6M9 in 2 structures; the first of them:

5JQT · Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 · 6M9 A304 · binds SER2, HIS3, HIS4, HIS10, ASN11
8R2Y · Structure of CTX-M-15 complexed with benzoxaborole AK-29 · 6M9 A301 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 3 more

Residues it binds most

HIS 2, ASN 3, SER 2, LYS 2, ASP 1, CYS 1, GLU 1, GLY 1, TRP 1, TYR 1 (residue and the binding sites it lines).

Found with

6M4 · 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium
HGB · 4-(hydroxymercury)benzoic acid
NA · Sodium ion
ZN · Zinc ion
CL · Chloride ion
SO4 · Sulfate ion
DMS · Dimethyl sulfoxide
GOL · Glycerol

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