Fluorine in PDB 6l0u: Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor

All present enzymatic activity of Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor:
4.4.1.5;

The structure of Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor, PDB code: 6l0u was solved by L.L.Jiang, L.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.16 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.785, 64.635, 65.794, 90.00, 101.58, 90.00
R / Rfree (%)	19.7 / 24.4

The structure of Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor (pdb code 6l0u). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor, PDB code: 6l0u:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:61.4 occ:1.00 F01 B:E1L201 0.0 61.4 1.0 C B:E1L201 1.4 57.2 1.0 F02 B:E1L201 2.2 58.4 1.0 O B:E1L201 2.2 59.5 1.0 F B:E1L201 2.2 54.2 1.0 O A:HOH357 3.4 53.4 1.0 C16 B:E1L201 3.5 55.2 1.0 NH1 B:ARG123 3.8 49.9 1.0 ND2 A:ASN104 3.8 30.4 1.0 CD B:ARG123 3.9 38.5 1.0 O A:HOH318 4.0 41.8 1.0 H14 B:E1L201 4.1 72.4 1.0 CZ B:ARG123 4.2 52.7 1.0 NE B:ARG123 4.3 46.3 1.0 C15 B:E1L201 4.3 60.3 1.0 CG A:ASN104 4.3 28.2 1.0 OD1 A:ASN104 4.6 31.6 1.0 C17 B:E1L201 4.6 46.4 1.0 H15 B:E1L201 4.6 55.6 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:58.4 occ:1.00 F02 B:E1L201 0.0 58.4 1.0 C B:E1L201 1.3 57.2 1.0 F B:E1L201 2.2 54.2 1.0 F01 B:E1L201 2.2 61.4 1.0 H14 B:E1L201 2.3 72.4 1.0 O B:E1L201 2.3 59.5 1.0 O A:HOH357 2.3 53.4 1.0 C15 B:E1L201 2.7 60.3 1.0 C16 B:E1L201 2.8 55.2 1.0 O A:HOH318 3.3 41.8 1.0 OD1 A:ASN104 3.5 31.6 1.0 ND2 A:ASN104 3.8 30.4 1.0 CG A:ASN104 3.8 28.2 1.0 O A:HOH336 4.0 40.0 1.0 C14 B:E1L201 4.1 56.6 1.0 C17 B:E1L201 4.2 46.4 1.0 O A:HOH361 4.5 47.2 1.0 H13 B:E1L201 4.6 68.0 1.0 H15 B:E1L201 4.6 55.6 1.0 CB A:ASN104 5.0 28.1 1.0 NH1 B:ARG123 5.0 49.9 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:54.2 occ:1.00 F B:E1L201 0.0 54.2 1.0 C B:E1L201 1.3 57.2 1.0 F02 B:E1L201 2.2 58.4 1.0 F01 B:E1L201 2.2 61.4 1.0 O B:E1L201 2.3 59.5 1.0 O A:HOH357 2.8 53.4 1.0 H14 B:E1L201 2.9 72.4 1.0 C16 B:E1L201 3.1 55.2 1.0 C15 B:E1L201 3.4 60.3 1.0 NH1 B:ARG123 3.5 49.9 1.0 CZ B:ARG123 4.1 52.7 1.0 C17 B:E1L201 4.5 46.4 1.0 NH2 B:ARG123 4.6 50.3 1.0 NE B:ARG123 4.7 46.3 1.0 C14 B:E1L201 4.8 56.6 1.0 H15 B:E1L201 4.8 55.6 1.0

L.L.Jiang, L.Zhou. Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor To Be Published.