Fluorine in PDB 5ki9: Crystal Structure of Human Beta-Defensin 4 (HBD4)

The structure of Crystal Structure of Human Beta-Defensin 4 (HBD4), PDB code: 5ki9 was solved by L.Jacek, P.Adam, P.Marzenam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	41.704, 41.704, 52.945, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 26.8

The binding sites of Fluorine atom in the Crystal Structure of Human Beta-Defensin 4 (HBD4) (pdb code 5ki9). 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 Human Beta-Defensin 4 (HBD4), PDB code: 5ki9:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Human Beta-Defensin 4 (HBD4)


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 Beta-Defensin 4 (HBD4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F104 b:51.8 occ:1.00 F1 A:TFA104 0.0 51.8 1.0 C2 A:TFA104 1.3 50.4 1.0 F2 A:TFA104 2.1 56.6 1.0 F3 A:TFA104 2.1 48.6 0.5 C1 A:TFA104 2.2 52.1 1.0 O A:TFA104 2.4 53.5 1.0 NH1 A:ARG20 4.6 47.5 1.0 NH1 A:ARG16 4.7 40.9 1.0 NH2 A:ARG16 4.7 40.0 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Human Beta-Defensin 4 (HBD4)


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 Beta-Defensin 4 (HBD4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F104 b:56.6 occ:1.00 F2 A:TFA104 0.0 56.6 1.0 C2 A:TFA104 1.3 50.4 1.0 F1 A:TFA104 2.1 51.8 1.0 F3 A:TFA104 2.2 48.6 0.5 C1 A:TFA104 2.3 52.1 1.0 NH2 A:ARG16 2.9 40.0 1.0 O A:TFA104 3.2 53.5 1.0 NH1 A:ARG16 3.3 40.9 1.0 CZ A:ARG16 3.5 37.3 1.0 CD A:ARG14 3.6 57.2 1.0 NE A:ARG14 3.9 62.7 1.0 NH1 A:ARG14 4.1 68.4 1.0 CZ A:ARG14 4.1 66.3 1.0 O A:HOH211 4.2 68.8 1.0 NE A:ARG16 4.8 37.7 1.0 NH2 A:ARG14 4.9 67.6 1.0 NH1 A:ARG20 4.9 47.5 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Human Beta-Defensin 4 (HBD4)


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 Human Beta-Defensin 4 (HBD4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F104 b:48.6 occ:0.50 F3 A:TFA104 0.0 48.6 0.5 C2 A:TFA104 1.3 50.4 1.0 F1 A:TFA104 2.1 51.8 1.0 F2 A:TFA104 2.2 56.6 1.0 C1 A:TFA104 2.4 52.1 1.0 NH1 A:ARG16 2.9 40.9 1.0 O A:TFA104 3.3 53.5 1.0 NH2 A:ARG16 3.8 40.0 1.0 CZ A:ARG16 3.8 37.3 1.0 NH1 A:ARG20 4.0 47.5 1.0 NH1 A:ARG14 4.2 68.4 1.0 CD A:ARG14 4.8 57.2 1.0 CZ A:ARG14 4.9 66.3 1.0 CD A:ARG20 4.9 46.8 1.0

P.Adam, P.Marzenam, A.Jerry, L.Jacek. Human Beta-Defensin 4: Defensin Without the "Twist" To Be Published.