Atomistry » Chlorine » PDB 4brk-4bzs » 4bty
Atomistry »
  Chlorine »
    PDB 4brk-4bzs »
      4bty »

Chlorine in PDB 4bty: Crystal Structure of Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors

Enzymatic activity of Crystal Structure of Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors

All present enzymatic activity of Crystal Structure of Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors:
1.4.3.21;

Protein crystallography data

The structure of Crystal Structure of Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors, PDB code: 4bty was solved by E.Bligt-Linden, M.Pihlavisto, I.Szatmari, Z.Otwinowski, D.J.Smith, L.Lazar, F.Fulop, T.A.Salminen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.20 / 3.10
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 226.736, 226.736, 218.160, 90.00, 90.00, 120.00
R / Rfree (%) 18.42 / 24.638

Other elements in 4bty:

The structure of Crystal Structure of Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors also contains other interesting chemical elements:

Copper (Cu) 2 atoms
Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors (pdb code 4bty). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors, PDB code: 4bty:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4bty

Go back to Chlorine Binding Sites List in 4bty
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors


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 Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2000

b:80.7
occ:1.00
CLAC A:JWF2000 0.0 80.7 1.0
CAW A:JWF2000 1.8 79.7 1.0
CAE A:JWF2000 2.7 76.1 1.0
CAD A:JWF2000 2.8 76.3 1.0
CD2 A:PHE389 3.2 91.6 1.0
CG A:PHE389 3.4 85.5 1.0
CE2 A:PHE389 3.6 88.2 1.0
CG A:LEU469 3.8 80.4 1.0
CB A:PHE389 3.9 78.2 1.0
CD1 A:LEU469 3.9 80.4 1.0
CD1 A:PHE389 4.0 86.5 1.0
CAK A:JWF2000 4.0 71.9 1.0
CAJ A:JWF2000 4.1 77.8 1.0
CB A:LEU468 4.1 73.5 1.0
CZ A:PHE389 4.1 91.0 1.0
CG A:LEU468 4.2 80.7 1.0
CE1 A:PHE389 4.3 83.6 1.0
CD2 A:LEU468 4.3 81.2 1.0
N A:LEU469 4.4 79.0 1.0
C A:LEU468 4.5 75.4 1.0
CA A:LEU468 4.5 70.8 1.0
CAZ A:JWF2000 4.6 78.3 1.0
CB A:LEU469 4.7 74.0 1.0
CD2 A:LEU469 4.7 87.8 1.0
CE2 A:TYR394 4.8 76.0 1.0
OD1 A:ASP386 4.8 0.7 1.0
CZ A:TYR394 4.8 69.7 1.0
O A:LEU468 4.9 77.6 1.0

Chlorine binding site 2 out of 2 in 4bty

Go back to Chlorine Binding Sites List in 4bty
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors


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 Human Vascular Adhesion Protein-1 in Complex with Pyridazinone Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2000

b:83.6
occ:1.00
CLAC B:JWF2000 0.0 83.6 1.0
CAW B:JWF2000 1.8 77.3 1.0
CAE B:JWF2000 2.7 73.0 1.0
CAD B:JWF2000 2.8 80.1 1.0
CG B:PHE389 3.5 86.0 1.0
CD2 B:PHE389 3.6 84.7 1.0
CD1 B:PHE389 3.7 93.9 1.0
CG B:LEU469 3.8 91.5 1.0
CE2 B:PHE389 3.9 83.5 1.0
CD2 B:LEU468 3.9 84.4 1.0
CE1 B:PHE389 3.9 96.5 1.0
CZ B:PHE389 4.0 93.2 1.0
CB B:PHE389 4.0 88.3 1.0
CAK B:JWF2000 4.0 77.0 1.0
N B:LEU469 4.1 77.6 1.0
CAJ B:JWF2000 4.1 78.2 1.0
C B:LEU468 4.3 77.4 1.0
CD1 B:LEU469 4.3 94.0 1.0
CB B:LEU468 4.4 80.2 1.0
CB B:LEU469 4.4 81.8 1.0
OD1 B:ASP386 4.4 0.2 1.0
CA B:LEU468 4.5 76.2 1.0
CG B:LEU468 4.6 83.8 1.0
CD2 B:LEU469 4.6 92.6 1.0
CE2 B:TYR394 4.6 93.0 1.0
CAZ B:JWF2000 4.6 76.9 1.0
CD2 B:TYR394 4.7 89.7 1.0
CA B:LEU469 4.8 76.2 1.0
O B:LEU468 4.8 73.2 1.0
CD1 B:LEU468 4.8 88.4 1.0

Reference:

E.Bligt-Linden, M.Pihlavisto, I.Szatmari, Z.Otwinowski, D.J.Smith, L.Lazar, F.Fulop, T.A.Salminen. Novel Pyridazinone Inhibitors For Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode. J.Med.Chem. V. 56 9837 2013.
ISSN: ISSN 0022-2623
PubMed: 24304424
DOI: 10.1021/JM401372D
Page generated: Sat Dec 12 10:27:34 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy