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

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

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

Protein crystallography data

The structure of Crystal Structure of Factor Viia in Complex with (2S)-2,3-Dihydroxy-N- [[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide;Hydrobromide, PDB code: 5pao 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) 47.57 / 1.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.170, 95.170, 116.830, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 18.8

Other elements in 5pao:

The structure of Crystal Structure of Factor Viia in Complex with (2S)-2,3-Dihydroxy-N- [[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide;Hydrobromide 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)-2,3-Dihydroxy-N- [[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide;Hydrobromide (pdb code 5pao). 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)-2,3-Dihydroxy-N- [[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide;Hydrobromide, PDB code: 5pao:

Chlorine binding site 1 out of 1 in 5pao

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


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)-2,3-Dihydroxy-N- [[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide;Hydrobromide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:23.2
occ:0.50
 CE1 C:HIS309 0.4 16.7 0.5
NE2 C:HIS309 1.4 18.8 0.5
ND1 C:HIS309 1.5 18.5 0.5
CD2 C:HIS309 2.4 18.4 0.5
CG C:HIS309 2.5 18.1 0.5
N C:ARG284 3.4 16.4 1.0
CB C:HIS309 3.8 19.4 0.5
CD C:ARG283 3.8 16.0 1.0
CA C:ARG283 3.9 15.2 1.0
CB C:HIS309 3.9 17.3 0.5
NH1 C:ARG284 3.9 46.4 1.0
CD2 C:HIS309 4.0 22.6 0.5
CZ C:ARG284 4.0 41.6 1.0
O C:HOH786 4.1 46.6 1.0
C C:ARG283 4.2 15.8 1.0
CB C:ARG284 4.2 21.3 1.0
CB C:GLN310 4.2 21.4 1.0
CG C:ARG284 4.2 25.4 1.0
CG C:HIS309 4.3 21.4 0.5
CB C:ARG283 4.3 15.8 1.0
NH2 C:ARG284 4.3 45.9 1.0
O C:HOH830 4.3 47.4 1.0
CA C:ARG284 4.4 18.2 1.0
N C:GLN310 4.4 16.6 1.0
NE2 C:GLN310 4.5 32.4 1.0
NE C:ARG284 4.5 37.4 1.0
CG C:ARG283 4.7 15.8 1.0
O C:SER282 4.7 15.4 1.0
C C:HIS309 4.7 17.0 1.0
CA C:HIS309 4.7 17.9 0.5
CA C:HIS309 4.7 17.0 0.5
O C:ARG284 4.8 16.4 1.0
NE C:ARG283 4.9 16.5 1.0
CA C:GLN310 5.0 17.8 1.0
CD C:ARG284 5.0 30.8 1.0
CD C:GLN310 5.0 29.1 1.0

Reference:

A.Mayweg, S.Roever, M.G.Rudolph. Crystal Structure of A Factor Viia Complex To Be Published.
Page generated: Fri Jul 26 15:07:46 2024

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