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Calcium in PDB 5pax: Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea

Enzymatic activity of Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea, PDB code: 5pax 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) 32.36 / 1.36
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.240, 95.240, 116.700, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 19.2

Other elements in 5pax:

The structure of Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea (pdb code 5pax). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea, PDB code: 5pax:

Calcium binding site 1 out of 1 in 5pax

Go back to Calcium Binding Sites List in 5pax
Calcium binding site 1 out of 1 in the Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca501

b:28.3
occ:1.00
 OE1 C:GLU270 2.4 16.8 1.0
O C:GLU275 2.4 20.5 1.0
OE2 C:GLU280 2.6 17.2 1.0
O C:ASP272 2.6 15.3 1.0
O C:HOH805 2.7 27.8 1.0
O C:HOH631 2.9 25.5 1.0
CD C:GLU270 3.4 15.7 1.0
C C:GLU275 3.5 20.1 1.0
C C:ASP272 3.6 14.2 1.0
CD C:GLU280 3.6 15.7 1.0
OE2 C:GLU270 3.6 18.4 1.0
O C:HOH721 3.7 17.1 1.0
CG C:GLU280 3.9 14.8 1.0
N C:ASP272 4.0 14.6 1.0
CG C:GLU275 4.2 25.4 1.0
N C:HIS276 4.3 18.6 1.0
CA C:HIS276 4.3 18.8 1.0
CA C:ASP272 4.3 15.4 1.0
N C:HIS271 4.4 13.5 1.0
CA C:GLU275 4.5 20.9 1.0
N C:ASP277 4.5 16.5 1.0
N C:GLU275 4.5 20.5 1.0
N C:LEU273 4.6 15.4 1.0
CA C:LEU273 4.7 16.8 1.0
CG C:GLU270 4.7 17.3 1.0
CB C:ASP272 4.7 16.0 1.0
OD1 C:ASP277 4.8 16.1 1.0
OE1 C:GLU280 4.8 15.4 1.0
C C:HIS276 4.8 18.0 1.0
CG C:ASP277 4.8 16.8 1.0
O C:HOH632 4.9 22.2 1.0
C C:HIS271 4.9 13.8 1.0
CB C:GLU275 4.9 22.0 1.0
OD2 C:ASP277 5.0 18.0 1.0

Reference:

A.Mayweg, S.Roever, M.G.Rudolph. Crystal Structure of A Factor Viia Complex To Be Published.
Page generated: Wed Jul 9 09:28:24 2025

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