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

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

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

Protein crystallography data

The structure of Crystal Structure of Factor Viia in Complex with 1-[[3-[5-Hydroxy-4- (1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3- Phenylurea, PDB code: 5pay 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) 49.69 / 1.66
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.100, 95.100, 116.490, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 19.4

Other elements in 5pay:

The structure of Crystal Structure of Factor Viia in Complex with 1-[[3-[5-Hydroxy-4- (1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3- Phenylurea 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 1-[[3-[5-Hydroxy-4- (1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3- Phenylurea (pdb code 5pay). 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 1-[[3-[5-Hydroxy-4- (1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3- Phenylurea, PDB code: 5pay:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5pay

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


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 1-[[3-[5-Hydroxy-4- (1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3- Phenylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:64.2
occ:1.00
 O C:HOH699 3.3 37.5 1.0
O C:HOH764 3.6 30.9 1.0
N C:GLU454 3.6 21.9 1.0
CA C:SER453 3.9 22.3 1.0
CB C:SER453 4.0 22.8 1.0
C C:SER453 4.3 22.6 1.0
CB C:GLU454 4.4 21.8 1.0
CG C:GLU454 4.5 20.6 1.0
CA C:GLU454 4.5 21.8 1.0
O C:GLU454 4.9 22.5 1.0

Chlorine binding site 2 out of 2 in 5pay

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


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

b:58.8
occ:1.00
 N C:VAL459 3.3 25.3 1.0
O C:HOH870 3.6 49.6 1.0
NH1 C:ARG262 3.7 44.8 1.0
CA C:GLY458 3.7 26.3 0.5
CA C:GLY458 3.7 26.1 0.5
CG2 C:VAL459 3.9 25.1 1.0
C C:GLY458 4.0 25.7 0.5
C C:GLY458 4.0 25.9 0.5
CB C:VAL459 4.1 24.9 1.0
CZ C:ARG262 4.2 45.0 1.0
NE C:ARG262 4.2 43.6 1.0
CA C:VAL459 4.3 24.6 1.0
CD1 C:TRP261 4.4 39.7 1.0
CB C:TRP261 4.7 36.1 1.0
CG C:TRP261 4.8 37.1 1.0
N C:GLY458 4.8 26.4 0.5
N C:GLY458 4.8 26.5 0.5
O C:HOH710 4.9 41.9 1.0
O C:HOH843 5.0 43.0 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 07:13:39 2025

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