Chlorine in PDB 5pa8: Crystal Structure of Factor Viia in Complex with Cyclohexanamine

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with Cyclohexanamine:
3.4.21.21;

The structure of Crystal Structure of Factor Viia in Complex with Cyclohexanamine, PDB code: 5pa8 was solved by M.Stihle, A.Mayweg, S.Roever, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.69 / 1.98
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.239, 95.239, 116.562, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.4

The structure of Crystal Structure of Factor Viia in Complex with Cyclohexanamine also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Factor Viia in Complex with Cyclohexanamine (pdb code 5pa8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Factor Viia in Complex with Cyclohexanamine, PDB code: 5pa8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Factor Viia in Complex with Cyclohexanamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Factor Viia in Complex with Cyclohexanamine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:73.8 occ:1.00 O C:HOH675 3.5 52.4 1.0 O C:HOH755 3.6 54.2 1.0 N C:GLU454 3.6 41.1 1.0 CA C:SER453 3.9 41.7 1.0 CB C:SER453 4.1 41.6 1.0 O C:HOH812 4.2 62.8 1.0 C C:SER453 4.3 41.4 1.0 CB C:GLU454 4.5 41.0 1.0 CG C:GLU454 4.6 39.3 1.0 CA C:GLU454 4.6 41.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Factor Viia in Complex with Cyclohexanamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Factor Viia in Complex with Cyclohexanamine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl503 b:80.0 occ:1.00 NE C:ARG262 3.2 57.1 0.5 NH2 C:ARG262 3.6 56.3 0.5 N C:VAL459 3.6 43.7 1.0 CZ C:ARG262 3.8 57.1 0.5 CA C:GLY458 3.8 44.9 0.5 NH1 C:ARG262 3.8 56.0 0.5 CA C:GLY458 3.8 45.1 0.5 CD C:ARG262 4.0 56.8 0.5 CG2 C:VAL459 4.1 43.3 1.0 C C:GLY458 4.3 44.4 0.5 C C:GLY458 4.3 44.6 0.5 CD C:ARG262 4.4 55.6 0.5 CB C:VAL459 4.5 43.1 1.0 CG C:ARG262 4.6 55.6 0.5 CG C:ARG262 4.7 56.1 0.5 CA C:VAL459 4.7 43.2 1.0 CZ C:ARG262 4.7 55.9 0.5 NH2 C:ARG262 4.8 58.3 0.5 N C:GLY458 4.8 45.3 0.5 N C:GLY458 4.8 45.2 0.5 O4 C:SO4506 5.0 80.0 1.0 CB C:TRP261 5.0 57.1 1.0

A.Mayweg, S.Roever, M.G.Rudolph. Crystal Structure of A Factor Viia Complex To Be Published.