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Chlorine in PDB 5pav: Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide

Enzymatic activity of Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide, PDB code: 5pav 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) 33.65 / 1.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.200, 95.200, 116.316, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 19.7

Other elements in 5pav:

The structure of Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide 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 N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide (pdb code 5pav). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide, PDB code: 5pav:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5pav

Go back to Chlorine Binding Sites List in 5pav
Chlorine binding site 1 out of 3 in the Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide


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 N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:59.5
occ:1.00
 O C:HOH758 3.3 30.1 1.0
O C:HOH930 3.7 48.9 1.0
O C:HOH822 3.7 32.8 1.0
N C:GLU454 3.9 17.9 1.0
CB C:SER453 4.0 20.3 1.0
CA C:SER453 4.1 18.0 1.0
O C:HOH849 4.2 43.6 1.0
C C:SER453 4.5 19.9 1.0
CB C:GLU454 4.8 18.7 1.0
CG C:GLU454 4.9 17.3 1.0
CA C:GLU454 4.9 17.1 1.0

Chlorine binding site 2 out of 3 in 5pav

Go back to Chlorine Binding Sites List in 5pav
Chlorine binding site 2 out of 3 in the Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide


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 N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:57.4
occ:1.00
 NH2 C:ARG262 3.0 37.7 0.5
N C:VAL459 3.2 20.0 1.0
NH2 C:ARG262 3.5 42.5 0.5
CA C:GLY458 3.6 24.2 0.5
CA C:GLY458 3.6 22.9 0.5
NE C:ARG262 3.7 20.3 0.5
CZ C:ARG262 3.8 32.9 0.5
C C:GLY458 3.9 23.1 0.5
C C:GLY458 3.9 25.7 0.5
CG2 C:VAL459 3.9 23.3 1.0
CB C:VAL459 4.1 22.9 1.0
NE C:ARG262 4.2 54.7 0.5
CZ C:ARG262 4.2 66.0 0.5
CA C:VAL459 4.2 18.9 1.0
CB C:TRP261 4.6 33.7 1.0
N C:GLY458 4.7 23.8 0.5
N C:GLY458 4.7 24.7 0.5
CD1 C:TRP261 4.7 39.7 1.0
CG C:TRP261 4.9 35.9 1.0
CD C:ARG262 5.0 23.4 0.5

Chlorine binding site 3 out of 3 in 5pav

Go back to Chlorine Binding Sites List in 5pav
Chlorine binding site 3 out of 3 in the Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:26.1
occ:1.00
 O C:HOH733 3.2 49.0 1.0
N C:ARG284 3.3 14.1 1.0
OE1 C:GLN310 3.5 29.4 0.5
CB C:HIS309 3.8 17.2 1.0
CD C:ARG283 3.8 16.3 1.0
CA C:ARG283 3.8 12.9 1.0
ND1 C:HIS309 3.8 29.0 1.0
CB C:GLN310 4.0 16.3 0.5
CG C:ARG284 4.0 22.8 1.0
NH1 C:ARG284 4.0 75.0 1.0
C C:ARG283 4.0 14.9 1.0
CG C:GLN310 4.1 16.9 0.5
CB C:ARG284 4.1 17.8 1.0
CB C:ARG283 4.1 14.0 1.0
CD C:GLN310 4.2 34.7 0.5
N C:GLN310 4.2 13.2 1.0
CB C:GLN310 4.2 15.3 0.5
CG C:HIS309 4.3 24.4 1.0
CA C:ARG284 4.3 15.7 1.0
CZ C:ARG284 4.3 83.3 1.0
NE2 C:GLN310 4.4 25.9 0.5
C C:HIS309 4.6 16.1 1.0
CG C:ARG283 4.6 15.9 1.0
O C:ARG284 4.6 14.4 1.0
O C:HOH868 4.6 51.8 1.0
CA C:HIS309 4.7 15.2 1.0
NH2 C:ARG284 4.7 70.3 1.0
NE C:ARG284 4.7 61.8 1.0
O C:SER282 4.7 14.0 1.0
CA C:GLN310 4.8 13.7 0.5
O C:HOH855 4.8 56.4 1.0
CA C:GLN310 4.8 13.2 0.5
NE C:ARG283 4.9 14.6 1.0
N C:HIS309 4.9 14.3 1.0
C C:ARG284 4.9 17.4 1.0
CD C:GLN310 4.9 30.3 0.5
CD C:ARG284 5.0 42.5 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 15:08:37 2024

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