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Chlorine in PDB 5pas: 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]-3-Phenylpropanamide

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]-3-Phenylpropanamide

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]-3-Phenylpropanamide:
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]-3-Phenylpropanamide, PDB code: 5pas 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) 39.94 / 1.48
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.030, 95.030, 116.840, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 20.6

Other elements in 5pas:

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]-3-Phenylpropanamide 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 (2S)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Phenylpropanamide (pdb code 5pas). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine 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]-3-Phenylpropanamide, PDB code: 5pas:

Chlorine binding site 1 out of 1 in 5pas

Go back to Chlorine Binding Sites List in 5pas
Chlorine 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]-3-Phenylpropanamide


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

b:25.7
occ:0.50
 CE1 C:HIS309 0.3 18.1 0.5
NE2 C:HIS309 1.2 18.7 0.5
ND1 C:HIS309 1.6 18.1 0.5
CD2 C:HIS309 2.2 18.0 0.5
CG C:HIS309 2.4 17.3 0.5
O C:HOH754 3.2 48.3 1.0
N C:ARG284 3.5 16.5 1.0
CD2 C:HIS309 3.6 18.1 0.5
CD C:ARG283 3.7 15.2 1.0
CB C:HIS309 3.8 16.6 0.5
CB C:HIS309 3.8 16.5 0.5
CA C:ARG283 3.9 14.9 1.0
NH1 C:ARG284 3.9 31.8 1.0
CB C:GLN310 4.1 17.0 1.0
CG C:HIS309 4.1 17.5 0.5
CZ C:ARG284 4.1 30.2 1.0
O C:HOH829 4.2 44.8 1.0
CB C:ARG284 4.2 18.2 1.0
CG C:ARG284 4.3 20.9 1.0
C C:ARG283 4.3 15.6 1.0
CB C:ARG283 4.3 14.8 1.0
N C:GLN310 4.3 16.2 1.0
NH2 C:ARG284 4.4 31.8 1.0
CA C:ARG284 4.4 17.6 1.0
NE2 C:GLN310 4.5 23.7 1.0
O C:HOH860 4.5 46.6 1.0
C C:HIS309 4.6 16.3 1.0
NE C:ARG284 4.7 28.0 1.0
CG C:ARG283 4.7 14.9 1.0
CA C:HIS309 4.7 16.3 0.5
CA C:HIS309 4.7 16.3 0.5
O C:SER282 4.7 14.2 1.0
O C:ARG284 4.8 17.0 1.0
NE C:ARG283 4.8 14.8 1.0
CA C:GLN310 4.8 16.3 1.0
NE2 C:HIS309 4.9 18.7 0.5
CD C:GLN310 5.0 22.2 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 07:12:51 2025

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