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Chlorine in PDB 5paf: Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid

Enzymatic activity of Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid, PDB code: 5paf 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) 30.57 / 1.50
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.050, 95.050, 116.660, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 18.5

Other elements in 5paf:

The structure of Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid (pdb code 5paf). 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 N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid, PDB code: 5paf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5paf

Go back to Chlorine Binding Sites List in 5paf
Chlorine binding site 1 out of 2 in the Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid


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 N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:73.4
occ:1.00
 NE B:ARG262 3.1 51.2 0.5
N B:VAL459 3.4 22.6 1.0
O B:HOH758 3.5 35.2 1.0
NE B:ARG262 3.7 54.1 0.5
CA B:GLY458 3.8 25.8 0.5
CA B:GLY458 3.8 26.1 0.5
NH2 B:ARG262 3.9 47.2 0.5
NH1 B:ARG262 3.9 50.6 0.5
CD B:ARG262 3.9 51.2 0.5
CZ B:ARG262 4.0 50.1 0.5
CG2 B:VAL459 4.1 31.4 1.0
C B:GLY458 4.1 23.8 0.5
CZ B:ARG262 4.1 51.9 0.5
C B:GLY458 4.1 22.6 0.5
CB B:VAL459 4.3 27.2 1.0
CA B:VAL459 4.4 23.9 1.0
CG B:ARG262 4.5 51.2 0.5
CG B:ARG262 4.6 52.3 0.5
CD B:ARG262 4.6 54.9 0.5
CB B:TRP261 4.7 38.0 1.0
N B:GLY458 4.9 26.6 0.5
N B:GLY458 4.9 26.9 0.5

Chlorine binding site 2 out of 2 in 5paf

Go back to Chlorine Binding Sites List in 5paf
Chlorine binding site 2 out of 2 in the Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid


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 N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:20.7
occ:1.00
 CL1 B:7LR508 0.0 20.7 1.0
C20 B:7LR508 1.7 20.9 1.0
C11 B:7LR508 2.7 23.6 1.0
C26 B:7LR508 2.7 20.6 1.0
OD2 B:ASP302 3.3 16.1 1.0
ND1 B:HIS253 3.3 15.2 1.0
CG B:HIS253 3.7 15.5 1.0
OG B:SER423 3.8 16.5 1.0
CG2 B:THR299 3.8 23.5 1.0
O B:SER423 3.8 16.3 1.0
CA B:THR299 3.8 21.3 1.0
CB B:HIS253 3.9 15.5 1.0
CG B:ASP302 3.9 15.8 1.0
CE1 B:HIS253 3.9 15.6 1.0
CB B:TRP424 3.9 20.1 1.0
C6 B:7LR508 4.0 27.2 1.0
CB B:THR299 4.0 23.7 1.0
CD1 B:TRP424 4.1 20.1 1.0
C16 B:7LR508 4.1 23.7 1.0
O B:THR298 4.2 26.9 1.0
O B:THR299 4.2 19.9 1.0
CG B:TRP424 4.3 19.9 1.0
C B:SER423 4.3 15.8 1.0
C B:THR299 4.5 21.7 1.0
C17 B:7LR508 4.5 25.2 1.0
CD2 B:HIS253 4.5 15.7 1.0
CB B:ASP302 4.6 16.3 1.0
OD1 B:ASP302 4.6 15.9 1.0
NE2 B:HIS253 4.6 16.6 1.0
N B:THR299 4.8 22.0 1.0
C B:THR298 4.9 21.3 1.0
CB B:SER423 4.9 14.7 1.0
O B:HOH647 4.9 24.5 1.0
CA B:TRP424 4.9 19.1 1.0
N B:TRP424 4.9 18.2 1.0
CA B:SER423 5.0 15.3 1.0

Reference:

A.Mayweg, S.Roever, M.G.Rudolph. Crystal Structure of A Factor Viia Complex To Be Published.
Page generated: Sat Jul 12 07:11:55 2025

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