Atomistry » Fluorine » PDB 1dvz-1fk9 » 1eld
Atomistry »
  Fluorine »
    PDB 1dvz-1fk9 »
      1eld »

Fluorine in PDB 1eld: Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors

Enzymatic activity of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors

All present enzymatic activity of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors:
3.4.21.36;

Protein crystallography data

The structure of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors, PDB code: 1eld was solved by C.Mattos, G.A.Petsko, D.Ringe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.030, 57.760, 75.319, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / n/a

Other elements in 1eld:

The structure of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors (pdb code 1eld). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors, PDB code: 1eld:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1eld

Go back to Fluorine Binding Sites List in 1eld
Fluorine binding site 1 out of 6 in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F256

b:55.9
occ:1.00
F1 E:0Z0256 0.0 55.9 1.0
C2 E:0Z0256 1.4 55.1 1.0
F3 E:0Z0256 2.1 55.0 1.0
F2 E:0Z0256 2.1 55.3 1.0
C1 E:0Z0256 2.4 55.2 1.0
O E:0Z0256 2.9 55.5 1.0
N E:0Z0256 3.1 55.0 1.0
O E:CYS199 3.2 9.9 1.0
CG1 E:VAL224 3.3 8.4 1.0
C E:CYS199 3.4 9.9 1.0
N E:CYS199 3.5 7.5 1.0
CA E:CYS199 3.6 9.0 1.0
C E:GLY198 3.8 5.9 1.0
CG2 E:THR221 4.0 5.3 1.0
CG2 E:VAL224 4.0 9.7 1.0
N E:GLN200 4.1 9.1 1.0
O E:GLY198 4.2 5.0 1.0
CB E:VAL224 4.2 10.0 1.0
OG E:SER203 4.4 11.6 1.0
N E:VAL224 4.4 8.2 1.0
CA E:0Z0256 4.4 55.5 1.0
C E:PHE223 4.5 9.6 1.0
CA E:GLY198 4.5 8.6 1.0
CA E:GLN200 4.6 10.8 1.0
CA E:PHE223 4.7 8.4 1.0
O1 E:0Z0256 4.7 55.4 1.0
C E:0Z0256 4.8 56.0 1.0
O E:PHE223 4.8 10.4 1.0
CB E:ASP202 4.9 5.4 1.0
CG2 E:THR236 4.9 5.2 1.0
CA E:VAL224 4.9 10.6 1.0
N E:PHE223 5.0 7.3 1.0
N E:SER203 5.0 8.9 1.0

Fluorine binding site 2 out of 6 in 1eld

Go back to Fluorine Binding Sites List in 1eld
Fluorine binding site 2 out of 6 in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F256

b:55.3
occ:1.00
F2 E:0Z0256 0.0 55.3 1.0
C2 E:0Z0256 1.3 55.1 1.0
F1 E:0Z0256 2.1 55.9 1.0
F3 E:0Z0256 2.2 55.0 1.0
C1 E:0Z0256 2.5 55.2 1.0
O E:CYS199 2.6 9.9 1.0
OG E:SER203 2.7 11.6 1.0
N E:0Z0256 2.9 55.0 1.0
N E:SER203 3.1 8.9 1.0
O E:0Z0256 3.2 55.5 1.0
C E:CYS199 3.3 9.9 1.0
OXT E:ACY300 3.5 26.2 1.0
CA E:SER203 3.7 8.5 1.0
CB E:SER203 3.7 9.2 1.0
CA E:GLN200 3.7 10.8 1.0
N E:ASP202 3.7 7.5 1.0
N E:GLN200 3.8 9.1 1.0
C E:ASP202 3.9 6.8 1.0
CB E:ASP202 4.0 5.4 1.0
N E:GLY201 4.0 7.7 1.0
CG2 E:THR221 4.0 5.3 1.0
CA E:ASP202 4.1 6.5 1.0
C E:GLN200 4.1 10.9 1.0
N E:CYS199 4.3 7.5 1.0
CA E:0Z0256 4.3 55.5 1.0
CA E:CYS199 4.3 9.0 1.0
CB E:0Z0256 4.7 55.1 1.0
C E:ACY300 4.7 29.7 1.0
C E:GLY201 4.8 6.2 1.0
O E:ASP202 4.9 6.7 1.0
CG E:ASP202 5.0 5.2 1.0
CB E:GLN200 5.0 15.4 1.0
CA E:GLY201 5.0 8.1 1.0

Fluorine binding site 3 out of 6 in 1eld

Go back to Fluorine Binding Sites List in 1eld
Fluorine binding site 3 out of 6 in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F256

b:55.0
occ:1.00
F3 E:0Z0256 0.0 55.0 1.0
C2 E:0Z0256 1.3 55.1 1.0
F1 E:0Z0256 2.1 55.9 1.0
F2 E:0Z0256 2.2 55.3 1.0
N E:0Z0256 2.3 55.0 1.0
C1 E:0Z0256 2.4 55.2 1.0
OG E:SER203 2.8 11.6 1.0
O E:SER222 3.3 10.6 1.0
C E:SER222 3.4 9.0 1.0
CA E:0Z0256 3.5 55.5 1.0
O E:0Z0256 3.5 55.5 1.0
CB E:0Z0256 3.5 55.1 1.0
CG2 E:THR221 3.6 5.3 1.0
N E:PHE223 3.6 7.3 1.0
CA E:PHE223 3.6 8.4 1.0
CB E:SER203 4.0 9.2 1.0
C E:PHE223 4.1 9.6 1.0
O1 E:0Z0256 4.2 55.4 1.0
CA E:SER203 4.2 8.5 1.0
N E:SER222 4.2 7.9 1.0
C E:0Z0256 4.3 56.0 1.0
CA E:SER222 4.3 8.3 1.0
N E:SER203 4.3 8.9 1.0
N E:VAL224 4.5 8.2 1.0
C E:THR221 4.5 6.2 1.0
O E:CYS199 4.6 9.9 1.0
OXT E:ACY300 4.7 26.2 1.0
CB E:THR221 4.7 7.1 1.0
O E:PHE223 4.7 10.4 1.0
CG1 E:VAL224 4.7 8.4 1.0
O E:THR221 4.8 9.1 1.0
CG E:0Z0256 4.8 55.9 1.0
CE1 E:HIS60 4.9 11.9 1.0
CB E:PHE223 5.0 9.9 1.0
C E:CYS199 5.0 9.9 1.0

Fluorine binding site 4 out of 6 in 1eld

Go back to Fluorine Binding Sites List in 1eld
Fluorine binding site 4 out of 6 in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F256

b:55.1
occ:1.00
F11 E:0Z0256 0.0 55.1 1.0
C7 E:0Z0256 1.4 55.2 1.0
F21 E:0Z0256 2.2 55.6 1.0
F31 E:0Z0256 2.2 55.4 1.0
C4 E:0Z0256 2.6 55.0 1.0
C5 E:0Z0256 3.0 55.7 1.0
O E:HOH651 3.2 47.3 1.0
O E:HOH650 3.6 23.3 1.0
C31 E:0Z0256 3.8 55.6 1.0
C6 E:0Z0256 4.4 55.3 1.0
CB E:ALA104 4.8 12.3 1.0
CG2 E:VAL103 4.8 19.1 1.0
C21 E:0Z0256 5.0 55.0 1.0

Fluorine binding site 5 out of 6 in 1eld

Go back to Fluorine Binding Sites List in 1eld
Fluorine binding site 5 out of 6 in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F256

b:55.6
occ:1.00
F21 E:0Z0256 0.0 55.6 1.0
C7 E:0Z0256 1.4 55.2 1.0
F31 E:0Z0256 2.2 55.4 1.0
F11 E:0Z0256 2.2 55.1 1.0
C4 E:0Z0256 2.5 55.0 1.0
C31 E:0Z0256 3.0 55.6 1.0
CG2 E:THR182 3.3 18.0 1.0
C5 E:0Z0256 3.7 55.7 1.0
O E:HOH651 4.0 47.3 1.0
CB E:ALA104 4.1 12.3 1.0
C21 E:0Z0256 4.3 55.0 1.0
OG1 E:THR182 4.4 21.5 1.0
O E:HOH650 4.4 23.3 1.0
CB E:THR182 4.4 17.7 1.0
C6 E:0Z0256 4.9 55.3 1.0

Fluorine binding site 6 out of 6 in 1eld

Go back to Fluorine Binding Sites List in 1eld
Fluorine binding site 6 out of 6 in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F256

b:55.4
occ:1.00
F31 E:0Z0256 0.0 55.4 1.0
C7 E:0Z0256 1.3 55.2 1.0
F21 E:0Z0256 2.2 55.6 1.0
F11 E:0Z0256 2.2 55.1 1.0
C4 E:0Z0256 2.3 55.0 1.0
CG2 E:VAL103 3.1 19.1 1.0
C31 E:0Z0256 3.1 55.6 1.0
C5 E:0Z0256 3.2 55.7 1.0
CB E:ALA104 3.5 12.3 1.0
N E:ALA104 3.6 12.4 1.0
CA E:ALA104 4.0 12.9 1.0
C21 E:0Z0256 4.3 55.0 1.0
C6 E:0Z0256 4.4 55.3 1.0
O E:HOH651 4.4 47.3 1.0
CG2 E:THR182 4.4 18.0 1.0
CB E:VAL103 4.4 18.0 1.0
C E:VAL103 4.4 14.6 1.0
N E:VAL103 4.5 17.9 1.0
CA E:VAL103 4.7 17.6 1.0
C11 E:0Z0256 4.8 55.1 1.0

Reference:

C.Mattos, D.A.Giammona, G.A.Petsko, D.Ringe. Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors. Biochemistry V. 34 3193 1995.
ISSN: ISSN 0006-2960
PubMed: 7880814
DOI: 10.1021/BI00010A008
Page generated: Wed Jul 31 11:12:36 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy