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Calcium in PDB 5pae: Crystal Structure of Factor Viia in Complex with (2S)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide

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

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

Protein crystallography data

The structure of Crystal Structure of Factor Viia in Complex with (2S)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide, PDB code: 5pae 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) 47.62 / 1.45
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.270, 95.270, 116.710, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 18.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Factor Viia in Complex with (2S)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide (pdb code 5pae). 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 (2S)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide, PDB code: 5pae:

Calcium binding site 1 out of 1 in 5pae

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


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 (2S)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca502

b:31.6
occ:1.00
 OE1 B:GLU270 2.4 21.6 1.0
O B:GLU275 2.4 25.9 1.0
O B:ASP272 2.6 19.4 1.0
O B:HOH792 2.6 29.8 1.0
OE2 B:GLU280 2.6 22.4 1.0
O B:HOH688 2.9 30.9 1.0
CD B:GLU270 3.4 20.9 1.0
C B:GLU275 3.5 25.1 1.0
C B:ASP272 3.6 19.2 1.0
OE2 B:GLU270 3.6 21.4 1.0
CD B:GLU280 3.7 18.7 1.0
O B:HOH710 3.8 20.4 1.0
N B:ASP272 3.9 19.1 1.0
CG B:GLU280 4.0 17.3 1.0
CA B:HIS276 4.3 23.8 1.0
CA B:ASP272 4.3 19.7 1.0
CG B:GLU275 4.3 30.7 1.0
N B:HIS276 4.3 23.4 1.0
N B:HIS271 4.3 17.0 1.0
N B:GLU275 4.5 24.9 1.0
CA B:GLU275 4.5 25.8 1.0
N B:LEU273 4.5 19.3 1.0
O B:HOH601 4.5 42.8 1.0
N B:ASP277 4.6 21.8 1.0
CA B:LEU273 4.7 21.0 1.0
CB B:ASP272 4.7 19.9 1.0
CG B:GLU270 4.7 21.4 1.0
OD1 B:ASP277 4.8 20.4 1.0
OE1 B:GLU280 4.8 20.9 1.0
C B:HIS276 4.8 23.8 1.0
O B:HOH660 4.8 29.1 1.0
C B:HIS271 4.9 17.8 1.0
CG B:ASP277 4.9 21.0 1.0
O B:HOH815 4.9 38.1 1.0
CB B:GLU275 5.0 26.9 1.0
C B:LEU273 5.0 21.9 1.0

Reference:

A.Mayweg, S.Roever, M.G.Rudolph. Crystal Structure of A Factor Viia Complex To Be Published.
Page generated: Mon Jul 15 10:01:38 2024

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