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Chlorine in PDB 5pai: Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A

Enzymatic activity of Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A

All present enzymatic activity of Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A:
3.4.21.21;

Protein crystallography data

The structure of Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A, PDB code: 5pai 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) 36.89 / 1.73
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.390, 95.390, 116.320, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 18.2

Other elements in 5pai:

The structure of Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A (pdb code 5pai). 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 Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A, PDB code: 5pai:

Chlorine binding site 1 out of 1 in 5pai

Go back to Chlorine Binding Sites List in 5pai
Chlorine binding site 1 out of 1 in the Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:58.7
occ:1.00
 NE B:ARG262 3.4 39.5 0.5
O B:HOH780 3.5 31.6 1.0
N B:VAL459 3.6 24.8 1.0
NH2 B:ARG262 3.8 41.3 0.5
NH1 B:ARG262 3.8 38.4 0.5
CA B:GLY458 3.9 28.1 1.0
CZ B:ARG262 4.0 39.6 0.5
CG2 B:VAL459 4.1 25.8 1.0
C B:GLY458 4.3 27.4 1.0
CD B:ARG262 4.3 38.4 0.5
CB B:VAL459 4.4 24.2 1.0
CB B:TRP261 4.4 34.1 1.0
CG B:ARG262 4.6 36.3 0.5
CD B:ARG262 4.6 39.2 0.5
CZ B:ARG262 4.6 41.7 0.5
CA B:VAL459 4.6 24.2 1.0
NE B:ARG262 4.9 41.0 0.5
CG B:TRP261 5.0 34.4 1.0

Reference:

A.Mayweg, S.Roever, M.G.Rudolph. Crystal Structure of A Factor Viia Complex To Be Published.
Page generated: Sat Dec 12 12:14:59 2020

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