Fluorine in PDB 4y6d: Factor Xa Complex with GTC000101

All present enzymatic activity of Factor Xa Complex with GTC000101:
3.4.21.6;

The structure of Factor Xa Complex with GTC000101, PDB code: 4y6d was solved by M.A.Convery, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.863, 72.729, 78.586, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 23.3

The structure of Factor Xa Complex with GTC000101 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Factor Xa Complex with GTC000101 (pdb code 4y6d). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Factor Xa Complex with GTC000101, PDB code: 4y6d:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Factor Xa Complex with GTC000101


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Factor Xa Complex with GTC000101 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:35.2 occ:0.50 F1 A:48U301 0.0 35.2 0.5 C22 A:48U301 1.3 34.4 0.5 C21 A:48U301 1.4 36.4 0.5 C15 A:48U301 2.3 35.2 0.5 C15 A:48U301 2.3 33.8 0.5 C26 A:48U301 2.4 33.4 0.5 C24 A:48U301 2.4 35.8 0.5 N2 A:48U301 2.7 35.5 0.5 N2 A:48U301 2.8 34.5 0.5 C14 A:48U301 2.9 34.4 0.5 C14 A:48U301 3.0 33.9 0.5 O A:GLY216 3.3 24.9 1.0 O A:HOH472 3.4 46.6 1.0 C22 A:48U301 3.5 35.8 0.5 C21 A:48U301 3.6 34.3 0.5 C27 A:48U301 3.6 35.4 0.5 C27 A:48U301 3.6 36.8 0.5 C A:GLY216 3.7 26.0 1.0 C50 A:48U301 3.8 36.1 0.5 CA A:GLU217 3.8 31.1 1.0 C50 A:48U301 3.8 35.2 0.5 CG A:GLU217 3.8 31.3 1.0 CE3 A:TRP215 3.8 23.4 1.0 CE1 A:PHE174 3.9 37.5 1.0 N A:GLU217 4.0 28.6 1.0 C26 A:48U301 4.1 36.4 0.5 C24 A:48U301 4.1 35.5 0.5 CZ3 A:TRP215 4.2 24.1 1.0 C13 A:48U301 4.3 35.2 0.5 CB A:GLU217 4.3 30.8 1.0 O3 A:48U301 4.4 33.1 0.5 C13 A:48U301 4.4 34.4 0.5 O3 A:48U301 4.4 34.6 0.5 CZ A:PHE174 4.5 38.9 1.0 CD1 A:PHE174 4.5 36.8 1.0 C12 A:48U301 4.6 35.3 0.5 F1 A:48U301 4.6 36.9 0.5 N A:GLY216 4.6 21.2 1.0 C12 A:48U301 4.7 34.7 0.5 CA A:GLY216 4.7 25.6 1.0 C28 A:48U301 4.9 38.3 0.5 C28 A:48U301 4.9 37.2 0.5 CD2 A:TRP215 4.9 21.5 1.0

Fluorine binding site 2 out of 2 in the Factor Xa Complex with GTC000101


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Factor Xa Complex with GTC000101 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:36.9 occ:0.50 F1 A:48U301 0.0 36.9 0.5 C21 A:48U301 1.3 34.3 0.5 C22 A:48U301 1.3 35.8 0.5 C24 A:48U301 2.3 35.5 0.5 C15 A:48U301 2.3 33.8 0.5 C26 A:48U301 2.3 36.4 0.5 C15 A:48U301 2.3 35.2 0.5 O3 A:48U301 2.5 34.6 0.5 O3 A:48U301 2.7 33.1 0.5 N2 A:48U301 2.8 34.5 0.5 N2 A:48U301 2.8 35.5 0.5 C50 A:48U301 2.8 36.1 0.5 C50 A:48U301 2.9 35.2 0.5 O A:HOH583 3.0 38.6 1.0 O A:HOH579 3.2 41.5 1.0 OH A:TYR99 3.4 38.0 1.0 C22 A:48U301 3.5 34.4 0.5 C27 A:48U301 3.5 35.4 0.5 O A:HOH631 3.5 50.8 1.0 C21 A:48U301 3.6 36.4 0.5 C27 A:48U301 3.6 36.8 0.5 CZ A:TYR99 3.6 35.0 1.0 O A:HOH558 3.7 28.2 1.0 CE2 A:TYR99 3.9 32.7 1.0 C14 A:48U301 4.0 33.9 0.5 C26 A:48U301 4.0 33.4 0.5 C14 A:48U301 4.0 34.4 0.5 C24 A:48U301 4.1 35.8 0.5 C12 A:48U301 4.1 35.3 0.5 C12 A:48U301 4.2 34.7 0.5 CB A:TRP215 4.2 21.1 1.0 CE1 A:TYR99 4.3 34.5 1.0 N1 A:48U301 4.5 35.9 0.5 N1 A:48U301 4.5 36.0 0.5 C13 A:48U301 4.5 34.4 0.5 C13 A:48U301 4.6 35.2 0.5 F1 A:48U301 4.6 35.2 0.5 C28 A:48U301 4.7 37.2 0.5 CD2 A:TYR99 4.7 29.9 1.0 C28 A:48U301 4.9 38.3 0.5 O A:HOH584 5.0 50.6 1.0

M.A.Convery, M.A.Convery. N/A N/A.