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Chlorine in PDB 5pb0: Crystal Structure of Factor Viia in Complex with 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid

Enzymatic activity of Crystal Structure of Factor Viia in Complex with 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure of Factor Viia in Complex with 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid, PDB code: 5pb0 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) 49.57 / 1.98
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.272, 95.272, 116.071, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 19.3

Other elements in 5pb0:

The structure of Crystal Structure of Factor Viia in Complex with 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid 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 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid (pdb code 5pb0). 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 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid, PDB code: 5pb0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5pb0

Go back to Chlorine Binding Sites List in 5pb0
Chlorine binding site 1 out of 3 in the Crystal Structure of Factor Viia in Complex with 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic 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 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:71.8
occ:1.00
 O A:VAL191 3.7 26.2 1.0
C A:VAL191 4.0 26.7 1.0
C A:THR190 4.1 27.4 1.0
N A:VAL191 4.1 26.3 1.0
O A:THR190 4.2 27.0 1.0
O A:HOH434 4.3 32.3 1.0
CA A:VAL191 4.3 26.6 1.0
O A:HOH411 4.4 43.2 1.0
O A:PRO189 4.4 25.0 1.0
N A:GLU192 4.5 27.5 1.0
CA A:THR190 4.7 26.6 1.0
CA A:GLU192 4.9 26.9 1.0
O A:HOH403 4.9 41.9 1.0
C A:PRO189 4.9 27.1 1.0

Chlorine binding site 2 out of 3 in 5pb0

Go back to Chlorine Binding Sites List in 5pb0
Chlorine binding site 2 out of 3 in the Crystal Structure of Factor Viia in Complex with 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic 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 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:80.0
occ:1.00
 O B:HOH872 3.9 40.3 1.0
O B:HOH858 4.1 46.3 1.0
ND1 B:HIS411 4.2 34.2 1.0
CG B:HIS411 4.3 31.4 1.0
CZ2 B:TRP416 4.6 28.3 1.0
CE1 B:HIS411 4.6 33.0 1.0
CB B:HIS411 4.6 30.1 1.0
CD2 B:HIS411 4.7 34.3 1.0
CH2 B:TRP416 4.8 26.3 1.0
NE2 B:HIS411 4.8 35.5 1.0
O B:HOH757 5.0 32.0 1.0

Chlorine binding site 3 out of 3 in 5pb0

Go back to Chlorine Binding Sites List in 5pb0
Chlorine binding site 3 out of 3 in the Crystal Structure of Factor Viia in Complex with 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid


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 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:73.2
occ:1.00
 O B:HOH753 3.2 39.5 1.0
N B:VAL459 3.4 32.0 1.0
NE B:ARG262 3.4 46.0 0.5
NH1 B:ARG262 3.6 45.9 0.5
CA B:GLY458 3.6 33.3 0.5
CA B:GLY458 3.7 33.6 0.5
CZ B:ARG262 4.0 46.7 0.5
C B:GLY458 4.0 32.9 0.5
C B:GLY458 4.0 32.6 0.5
CG2 B:VAL459 4.1 30.5 1.0
NE B:ARG262 4.1 45.8 0.5
NH2 B:ARG262 4.3 46.7 0.5
CB B:VAL459 4.3 31.6 1.0
CA B:VAL459 4.5 31.2 1.0
CD B:ARG262 4.5 44.9 0.5
CZ B:ARG262 4.7 47.3 0.5
O B:HOH689 4.7 46.7 1.0
CB B:TRP261 4.7 41.2 1.0
N B:GLY458 4.8 34.0 0.5
N B:GLY458 4.8 33.8 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 07:13:50 2025

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