Atomistry » Chlorine » PDB 5pb4-5qa4 » 5pb4
Atomistry »
  Chlorine »
    PDB 5pb4-5qa4 »
      5pb4 »

Chlorine in PDB 5pb4: Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A

Enzymatic activity of Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A

All present enzymatic activity of Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A:
3.4.21.21;

Protein crystallography data

The structure of Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A, PDB code: 5pb4 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) 47.67 / 2.43
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 95.345, 95.345, 117.608, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 23

Other elements in 5pb4:

The structure of Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A 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-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A (pdb code 5pb4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A, PDB code: 5pb4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5pb4

Go back to Chlorine Binding Sites List in 5pb4
Chlorine binding site 1 out of 2 in the Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A


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-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:68.5
occ:1.00
 N C:GLU454 3.8 48.7 1.0
CB C:SER453 4.1 49.5 1.0
CA C:SER453 4.1 49.4 1.0
CB C:GLU454 4.5 48.2 1.0
C C:SER453 4.5 49.2 1.0
NH2 C:ARG456 4.6 68.1 1.0
CG C:GLU454 4.7 46.9 1.0
CA C:GLU454 4.7 48.4 1.0
O C:GLU454 4.9 49.3 1.0

Chlorine binding site 2 out of 2 in 5pb4

Go back to Chlorine Binding Sites List in 5pb4
Chlorine binding site 2 out of 2 in the Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:77.4
occ:1.00
 O C:HOH728 3.5 59.2 1.0
NE C:ARG262 3.7 66.3 1.0
N C:VAL459 3.8 48.3 1.0
NH2 C:ARG262 3.8 68.3 1.0
O C:HOH712 3.9 57.6 1.0
CG2 C:VAL459 4.1 46.9 1.0
CA C:GLY458 4.1 49.3 1.0
CZ C:ARG262 4.2 68.1 1.0
CB C:VAL459 4.4 47.6 1.0
C C:GLY458 4.5 49.1 1.0
CG C:ARG262 4.6 61.6 1.0
CD C:ARG262 4.7 63.5 1.0
CA C:VAL459 4.7 47.7 1.0
CB C:TRP261 4.8 60.6 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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy