Fluorine in PDB 6wab: Crystal Structure of Human Galectin-4 C-Terminal Carbohydrate Recognition Domain in Complex with Galactose Derivative

Protein crystallography data

The structure of Crystal Structure of Human Galectin-4 C-Terminal Carbohydrate Recognition Domain in Complex with Galactose Derivative, PDB code: 6wab was solved by R.M.Go, C.Kishor, H.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.80 / 2.28
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.698, 128.558, 45.891, 90, 101.22, 90
R / Rfree (%) 19.7 / 26.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Galectin-4 C-Terminal Carbohydrate Recognition Domain in Complex with Galactose Derivative (pdb code 6wab). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Galectin-4 C-Terminal Carbohydrate Recognition Domain in Complex with Galactose Derivative, PDB code: 6wab:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6wab

Go back to Fluorine Binding Sites List in 6wab
Fluorine binding site 1 out of 2 in the Crystal Structure of Human Galectin-4 C-Terminal Carbohydrate Recognition Domain in Complex with Galactose Derivative


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 Human Galectin-4 C-Terminal Carbohydrate Recognition Domain in Complex with Galactose Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:45.1
occ:1.00
FAI A:U61401 0.0 45.1 1.0
CAH A:U61401 1.6 44.2 1.0
CAG A:U61401 2.6 42.6 1.0
CAJ A:U61401 2.6 42.9 1.0
O A:GLY257 3.7 31.0 1.0
O A:TRP256 3.8 37.9 1.0
CAF A:U61401 3.9 42.4 1.0
CAK A:U61401 3.9 42.4 1.0
C A:GLY257 4.3 30.7 1.0
CAE A:U61401 4.5 40.6 1.0
N A:SER258 4.7 32.5 1.0
C A:TRP256 4.8 36.4 1.0
CA A:SER258 4.9 36.1 1.0

Fluorine binding site 2 out of 2 in 6wab

Go back to Fluorine Binding Sites List in 6wab
Fluorine binding site 2 out of 2 in the Crystal Structure of Human Galectin-4 C-Terminal Carbohydrate Recognition Domain in Complex with Galactose Derivative


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 Human Galectin-4 C-Terminal Carbohydrate Recognition Domain in Complex with Galactose Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:52.5
occ:1.00
FAI B:U61401 0.0 52.5 1.0
CAH B:U61401 1.5 50.9 1.0
CAJ B:U61401 2.5 48.8 1.0
CAG B:U61401 2.5 52.0 1.0
O B:GLY257 3.3 31.9 1.0
CAK B:U61401 3.8 51.0 1.0
CAF B:U61401 3.8 51.5 1.0
O B:TRP256 3.9 43.2 1.0
C B:GLY257 4.1 35.7 1.0
CAE B:U61401 4.3 48.8 1.0
N B:SER258 4.6 35.7 1.0
CA B:SER258 4.7 33.7 1.0
C B:TRP256 4.8 46.8 1.0

Reference:

R.M.Go, C.Kishor, H.Blanchard. Crystal Structure of Human Galectin-4 C-Terminal Carbohydrate Recognition Domain in Complex with Galactose Derivative To Be Published.
Page generated: Sat Apr 17 15:33:29 2021

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