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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 6l0u:

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

Fluorine Binding Sites:

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 6l0u

Go back to Fluorine Binding Sites List in 6l0u
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 6l0u

Go back to Fluorine Binding Sites List in 6l0u
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 6l0u

Go back to Fluorine Binding Sites List in 6l0u
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

Reference:

L.L.Jiang, L.Zhou. Crystal Structure of Mouse Glyoxalase I Complexed with A Small Molecule Inhibitor To Be Published.
Page generated: Sun Dec 13 12:56:11 2020

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