Atomistry » Fluorine » PDB 2duz-2fq6 » 2est
Atomistry »
  Fluorine »
    PDB 2duz-2fq6 »
      2est »

Fluorine in PDB 2est: Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase

Enzymatic activity of Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase

All present enzymatic activity of Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase:
3.4.21.36;

Protein crystallography data

The structure of Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase, PDB code: 2est was solved by L.C.Sieker, D.L.Hughes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.530, 57.470, 75.260, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase (pdb code 2est). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase, PDB code: 2est:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 2est

Go back to Fluorine Binding Sites List in 2est
Fluorine binding site 1 out of 6 in the Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:12.4
occ:1.00
 F1 E:2Z51 0.0 12.4 1.0
C2 E:2Z51 1.3 12.1 1.0
F3 E:2Z51 1.9 12.2 1.0
F2 E:2Z51 2.0 10.2 1.0
C1 E:2Z51 2.2 12.4 1.0
O E:2Z51 2.7 13.4 1.0
C E:PHE215 3.1 9.5 1.0
N E:2Z51 3.2 13.3 1.0
CA E:PHE215 3.2 8.8 1.0
CG1 E:VAL216 3.2 8.1 1.0
N E:VAL216 3.4 9.4 1.0
CG2 E:VAL216 3.5 8.0 1.0
O E:PHE215 3.6 9.8 1.0
N E:PHE215 3.7 9.5 1.0
CB E:VAL216 3.7 9.4 1.0
O1 E:2Z51 3.7 13.7 1.0
O E:SER214 3.9 11.1 1.0
C E:SER214 3.9 10.0 1.0
CA E:VAL216 4.2 10.2 1.0
CG2 E:THR213 4.2 7.2 1.0
C E:2Z51 4.2 14.4 1.0
CA E:2Z51 4.3 14.0 1.0
OG E:SER195 4.5 10.5 1.0
CB E:PHE215 4.6 7.3 1.0
O E:CYS191 4.7 11.3 1.0
C E:CYS191 4.8 11.5 1.0
CG2 E:THR226 4.9 7.0 1.0
N E:CYS191 4.9 13.3 1.0
N E:SER214 5.0 9.0 1.0

Fluorine binding site 2 out of 6 in 2est

Go back to Fluorine Binding Sites List in 2est
Fluorine binding site 2 out of 6 in the Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:10.2
occ:1.00
 F2 E:2Z51 0.0 10.2 1.0
C2 E:2Z51 1.3 12.1 1.0
F1 E:2Z51 2.0 12.4 1.0
F3 E:2Z51 2.2 12.2 1.0
C1 E:2Z51 2.4 12.4 1.0
O E:SER214 2.9 11.1 1.0
C E:SER214 3.0 10.0 1.0
N E:2Z51 3.0 13.3 1.0
OG E:SER195 3.3 10.5 1.0
CG2 E:THR213 3.4 7.2 1.0
N E:PHE215 3.4 9.5 1.0
O E:2Z51 3.5 13.4 1.0
CA E:SER195 3.5 9.4 1.0
CA E:PHE215 3.6 8.8 1.0
N E:SER214 3.6 9.0 1.0
C E:THR213 3.7 9.0 1.0
CA E:SER214 3.7 9.7 1.0
O E:THR213 3.8 9.4 1.0
CB E:SER195 3.8 10.9 1.0
N E:SER195 4.0 8.9 1.0
CB E:THR213 4.0 6.9 1.0
C E:PHE215 4.2 9.5 1.0
CA E:2Z51 4.4 14.0 1.0
CA E:THR213 4.4 7.5 1.0
CE1 E:HIS57 4.4 13.6 1.0
O E:PHE215 4.5 9.8 1.0
NE2 E:HIS57 4.6 13.7 1.0
O1 E:2Z51 4.7 13.7 1.0
C E:SER195 4.8 9.6 1.0
CB E:PHE215 4.9 7.3 1.0
N E:VAL216 4.9 9.4 1.0
C E:ASP194 4.9 9.2 1.0
CB E:2Z51 4.9 14.6 1.0

Fluorine binding site 3 out of 6 in 2est

Go back to Fluorine Binding Sites List in 2est
Fluorine binding site 3 out of 6 in the Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:12.2
occ:1.00
 F3 E:2Z51 0.0 12.2 1.0
C2 E:2Z51 1.3 12.1 1.0
F1 E:2Z51 1.9 12.4 1.0
F2 E:2Z51 2.2 10.2 1.0
C1 E:2Z51 2.2 12.4 1.0
O E:2Z51 2.5 13.4 1.0
O E:CYS191 3.1 11.3 1.0
OG E:SER195 3.3 10.5 1.0
N E:2Z51 3.4 13.3 1.0
C E:CYS191 3.5 11.5 1.0
N E:SER195 3.6 8.9 1.0
N E:GLN192 3.9 10.3 1.0
CA E:SER195 3.9 9.4 1.0
CA E:GLN192 4.0 9.8 1.0
CB E:SER195 4.1 10.9 1.0
CA E:CYS191 4.2 13.1 1.0
CG2 E:THR213 4.2 7.2 1.0
N E:CYS191 4.2 13.3 1.0
C E:ASP194 4.5 9.2 1.0
CB E:ASP194 4.5 5.5 1.0
CG1 E:VAL216 4.5 8.1 1.0
CG2 E:VAL216 4.6 8.0 1.0
N E:ASP194 4.6 8.2 1.0
CA E:2Z51 4.7 14.0 1.0
N E:GLY193 4.7 8.8 1.0
O E:SER214 4.8 11.1 1.0
C E:GLY190 4.8 13.5 1.0
CA E:ASP194 4.8 8.0 1.0
C E:GLN192 4.8 9.4 1.0
CA E:PHE215 4.9 8.8 1.0
O1 E:2Z51 4.9 13.7 1.0

Fluorine binding site 4 out of 6 in 2est

Go back to Fluorine Binding Sites List in 2est
Fluorine binding site 4 out of 6 in the Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:11.7
occ:1.00
 F11 E:2Z51 0.0 11.7 1.0
C7 E:2Z51 1.3 13.9 1.0
F21 E:2Z51 1.9 12.0 1.0
F31 E:2Z51 2.2 13.6 1.0
C4 E:2Z51 2.4 15.5 1.0
C31 E:2Z51 2.7 17.8 1.0
C5 E:2Z51 3.7 15.9 1.0
C21 E:2Z51 4.1 17.9 1.0
CB E:ALA99A 4.4 15.2 1.0
C6 E:2Z51 4.8 16.9 1.0
N E:ALA99A 4.9 15.1 1.0

Fluorine binding site 5 out of 6 in 2est

Go back to Fluorine Binding Sites List in 2est
Fluorine binding site 5 out of 6 in the Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:12.0
occ:1.00
 F21 E:2Z51 0.0 12.0 1.0
C7 E:2Z51 1.3 13.9 1.0
F11 E:2Z51 1.9 11.7 1.0
F31 E:2Z51 2.0 13.6 1.0
C4 E:2Z51 2.4 15.5 1.0
C5 E:2Z51 3.3 15.9 1.0
C31 E:2Z51 3.4 17.8 1.0
CG2 E:THR175 3.9 11.0 1.0
C6 E:2Z51 4.6 16.9 1.0
C21 E:2Z51 4.7 17.9 1.0
OG1 E:THR175 4.8 8.5 1.0
CB E:ALA99A 5.0 15.2 1.0
CB E:THR175 5.0 11.2 1.0

Fluorine binding site 6 out of 6 in 2est

Go back to Fluorine Binding Sites List in 2est
Fluorine binding site 6 out of 6 in the Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:13.6
occ:1.00
 F31 E:2Z51 0.0 13.6 1.0
C7 E:2Z51 1.3 13.9 1.0
F21 E:2Z51 2.0 12.0 1.0
F11 E:2Z51 2.2 11.7 1.0
C4 E:2Z51 2.2 15.5 1.0
C5 E:2Z51 2.9 15.9 1.0
CG2 E:THR175 3.1 11.0 1.0
C31 E:2Z51 3.4 17.8 1.0
CB E:ALA99A 3.5 15.2 1.0
CA E:ALA99A 4.1 13.7 1.0
C6 E:2Z51 4.2 16.9 1.0
N E:ALA99A 4.2 15.1 1.0
CB E:THR175 4.5 11.2 1.0
C21 E:2Z51 4.6 17.9 1.0
CE2 E:PHE215 4.7 5.1 1.0
CG2 E:VAL99 4.8 18.7 1.0
CZ E:PHE215 4.8 3.6 1.0
OG1 E:THR175 4.9 8.5 1.0
C11 E:2Z51 5.0 16.6 1.0

Reference:

D.L.Hughes, L.C.Sieker, J.Bieth, J.L.Dimicoli. Crystallographic Study of the Binding of A Trifluoroacetyl Dipeptide Anilide Inhibitor with Elastase. J.Mol.Biol. V. 162 645 1982.
ISSN: ISSN 0022-2836
PubMed: 6926029
DOI: 10.1016/0022-2836(82)90393-X
Page generated: Wed Jul 31 14:06:47 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