Chlorine in PDB 5pb2: Crystal Structure of Factor Viia in Complex with 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol:
3.4.21.21;

The structure of Crystal Structure of Factor Viia in Complex with 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol, PDB code: 5pb2 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)	33.83 / 1.45
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.683, 95.683, 116.746, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 20.4

The structure of Crystal Structure of Factor Viia in Complex with 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol 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 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol (pdb code 5pb2). 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 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol, PDB code: 5pb2:
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 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol


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 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:59.0 occ:1.00 O C:HOH689 3.5 34.2 1.0 O C:HOH772 3.6 31.6 1.0 N C:GLU454 3.9 18.9 1.0 CA C:SER453 4.1 19.7 1.0 CB C:SER453 4.1 19.8 1.0 C C:SER453 4.5 19.4 1.0 CB C:GLU454 4.7 18.6 1.0 CG C:GLU454 4.8 16.9 1.0 CA C:GLU454 4.9 18.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Factor Viia in Complex with 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol


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 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl503 b:61.3 occ:1.00 N C:VAL459 3.4 22.1 1.0 NH1 C:ARG262 3.6 42.0 1.0 NE C:ARG262 3.7 40.6 1.0 CA C:GLY458 3.8 23.5 0.5 CA C:GLY458 3.8 23.3 0.5 CZ C:ARG262 4.0 41.7 1.0 CG2 C:VAL459 4.0 22.6 1.0 C C:GLY458 4.1 23.0 0.5 C C:GLY458 4.1 22.8 0.5 CB C:VAL459 4.2 21.2 1.0 CA C:VAL459 4.4 21.4 1.0 CB C:TRP261 4.7 35.7 1.0 CD C:ARG262 4.8 38.8 1.0 CD1 C:TRP261 4.9 38.7 1.0 N C:GLY458 4.9 23.9 0.5 N C:GLY458 4.9 23.8 0.5

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