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Chlorine in PDB 5pag: Crystal Structure of Factor Viia in Complex with (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide

Enzymatic activity of Crystal Structure of Factor Viia in Complex with (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure of Factor Viia in Complex with (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide, PDB code: 5pag 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) 47.53 / 1.36
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.060, 95.060, 115.910, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 19.4

Other elements in 5pag:

The structure of Crystal Structure of Factor Viia in Complex with (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Factor Viia in Complex with (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide (pdb code 5pag). 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 (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide, PDB code: 5pag:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5pag

Go back to Chlorine Binding Sites List in 5pag
Chlorine binding site 1 out of 2 in the Crystal Structure of Factor Viia in Complex with (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide


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 (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:61.6
occ:1.00
 O B:HOH789 3.2 37.1 1.0
N B:GLU454 3.4 22.1 1.0
O B:HOH703 3.5 37.9 1.0
CA B:SER453 3.8 23.3 1.0
CB B:SER453 4.0 25.4 1.0
C B:SER453 4.1 23.0 1.0
CB B:GLU454 4.3 22.9 1.0
CG B:GLU454 4.3 21.8 1.0
CA B:GLU454 4.4 20.8 1.0
O B:ARG452 4.9 29.0 1.0
O B:GLU454 5.0 22.8 1.0

Chlorine binding site 2 out of 2 in 5pag

Go back to Chlorine Binding Sites List in 5pag
Chlorine binding site 2 out of 2 in the Crystal Structure of Factor Viia in Complex with (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide


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 (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:60.5
occ:1.00
 NE B:ARG262 3.0 48.1 0.5
N B:VAL459 3.7 24.0 1.0
CZ B:ARG262 3.8 46.0 0.5
NH1 B:ARG262 3.8 44.1 0.5
CD B:ARG262 3.9 47.5 0.5
NH2 B:ARG262 3.9 42.1 0.5
CA B:GLY458 3.9 28.3 1.0
NE B:ARG262 4.0 49.2 0.5
CZ B:ARG262 4.2 48.0 0.5
CG2 B:VAL459 4.3 27.5 1.0
C B:GLY458 4.4 27.2 1.0
CB B:VAL459 4.6 25.1 1.0
CB B:TRP261 4.6 30.3 1.0
CG B:ARG262 4.6 42.6 0.5
CG B:ARG262 4.8 41.9 0.5
CA B:VAL459 4.8 23.1 1.0
CD B:ARG262 4.9 47.9 0.5
NH2 B:ARG262 5.0 47.0 0.5

Reference:

A.Mayweg, S.Roever, M.G.Rudolph. Crystal Structure of A Factor Viia Complex To Be Published.
Page generated: Sat Jul 12 07:12:05 2025

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