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Chlorine in PDB 5pb5: Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-4-(7H-Pyrrolo[2,3- D]Pyrimidin-6-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 1.84A

Enzymatic activity of Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-4-(7H-Pyrrolo[2,3- D]Pyrimidin-6-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 1.84A

All present enzymatic activity of Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-4-(7H-Pyrrolo[2,3- D]Pyrimidin-6-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 1.84A:
3.4.21.21;

Protein crystallography data

The structure of Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-4-(7H-Pyrrolo[2,3- D]Pyrimidin-6-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 1.84A, PDB code: 5pb5 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) 47.51 / 1.84
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.037, 95.037, 116.512, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 20

Other elements in 5pb5:

The structure of Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-4-(7H-Pyrrolo[2,3- D]Pyrimidin-6-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 1.84A 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 1-[[3-[5-Hydroxy-4-(7H-Pyrrolo[2,3- D]Pyrimidin-6-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 1.84A (pdb code 5pb5). 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 1-[[3-[5-Hydroxy-4-(7H-Pyrrolo[2,3- D]Pyrimidin-6-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 1.84A, PDB code: 5pb5:

Chlorine binding site 1 out of 1 in 5pb5

Go back to Chlorine Binding Sites List in 5pb5
Chlorine binding site 1 out of 1 in the Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-4-(7H-Pyrrolo[2,3- D]Pyrimidin-6-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 1.84A


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 1-[[3-[5-Hydroxy-4-(7H-Pyrrolo[2,3- D]Pyrimidin-6-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 1.84A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:65.9
occ:1.00
 N B:VAL459 3.3 31.2 1.0
O B:HOH759 3.5 42.5 1.0
NH2 B:ARG262 3.6 54.2 1.0
CA B:GLY458 3.7 33.0 1.0
CG2 B:VAL459 3.8 31.1 1.0
NE B:ARG262 3.9 51.9 1.0
C B:GLY458 4.0 32.3 1.0
CB B:VAL459 4.1 30.6 1.0
CZ B:ARG262 4.2 54.0 1.0
O B:HOH773 4.2 58.8 1.0
CA B:VAL459 4.3 30.6 1.0
CB B:TRP261 4.5 43.5 1.0
N B:GLY458 4.8 33.4 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 15:10:57 2024

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