Chlorine in PDB 5paw: Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine:
3.4.21.21;

The structure of Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine, PDB code: 5paw 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)	47.62 / 2.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.195, 95.195, 116.759, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22

The structure of Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine 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 Isoquinoline-1,6- Diamine (pdb code 5paw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine, PDB code: 5paw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine


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 Isoquinoline-1,6- Diamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:75.0 occ:1.00 O A:VAL191 3.7 36.9 1.0 C A:VAL191 3.8 36.7 1.0 O A:HOH417 3.9 55.2 1.0 C A:THR190 3.9 36.9 1.0 O A:THR190 3.9 36.9 1.0 N A:VAL191 4.0 36.5 1.0 CA A:VAL191 4.1 36.3 1.0 N A:GLU192 4.2 37.9 1.0 O A:HOH421 4.3 40.5 1.0 O A:PRO189 4.6 36.6 1.0 CA A:GLU192 4.6 37.6 1.0 CA A:THR190 4.7 37.0 1.0 C A:PRO189 5.0 37.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine


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 Isoquinoline-1,6- Diamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:73.1 occ:1.00 NE B:ARG262 3.2 55.5 0.5 O B:HOH737 3.5 46.0 1.0 NH1 B:ARG262 3.5 55.1 0.5 CZ B:ARG262 3.7 55.0 0.5 N B:VAL459 3.8 42.8 1.0 NE B:ARG262 3.9 57.0 0.5 NH2 B:ARG262 4.0 55.8 0.5 CA B:GLY458 4.0 43.8 0.5 CA B:GLY458 4.0 43.8 0.5 CD B:ARG262 4.2 55.0 0.5 CG2 B:VAL459 4.3 41.0 1.0 C B:GLY458 4.4 43.4 0.5 C B:GLY458 4.4 43.4 0.5 CZ B:ARG262 4.4 56.8 0.5 CB B:VAL459 4.6 42.6 1.0 CB B:TRP261 4.7 51.9 1.0 CG B:ARG262 4.7 53.2 0.5 CA B:VAL459 4.8 42.2 1.0 CG B:ARG262 4.9 53.5 0.5 CD B:ARG262 5.0 55.5 0.5

Chlorine binding site 3 out of 3 in the Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:72.7 occ:1.00 O B:HOH628 3.5 54.1 1.0 O B:HOH758 3.6 60.2 1.0 N B:GLU454 3.8 41.6 1.0 CA B:SER453 4.1 42.4 1.0 CB B:SER453 4.2 42.6 1.0 C B:SER453 4.5 42.2 1.0 CB B:GLU454 4.6 40.7 1.0 CA B:GLU454 4.8 41.4 1.0 CG B:GLU454 4.8 39.1 1.0 NH2 B:ARG456 4.9 45.6 0.5

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