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Fluorine in PDB 2foh: Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol

Enzymatic activity of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol

All present enzymatic activity of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol:
3.4.21.36;

Protein crystallography data

The structure of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol, PDB code: 2foh was solved by C.Mattos, C.R.Bellamacina, E.Peisach, A.Pereira, D.Vitkup, G.A.Petsko, D.Ringe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 500.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.880, 57.840, 75.240, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 19.3

Other elements in 2foh:

The structure of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol (pdb code 2foh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol, PDB code: 2foh:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 2foh

Go back to Fluorine Binding Sites List in 2foh
Fluorine binding site 1 out of 6 in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:42.3
occ:1.00
 F1 A:ETF1001 0.0 42.3 1.0
C1 A:ETF1001 1.3 43.8 1.0
F3 A:ETF1001 2.1 42.1 1.0
F2 A:ETF1001 2.2 43.3 1.0
C2 A:ETF1001 2.4 43.7 1.0
O A:ETF1001 2.9 45.8 1.0
OG A:SER203 3.0 23.0 1.0
O A:CYS199 3.0 14.7 1.0
N A:SER203 3.2 11.6 1.0
CA A:SER203 3.6 12.4 1.0
C A:CYS199 3.6 13.7 1.0
CG2 A:THR221 3.6 13.1 1.0
CB A:SER203 3.8 16.2 1.0
C A:ASP202 3.9 10.8 1.0
N A:ASP202 4.0 10.9 1.0
CB A:ASP202 4.1 10.9 1.0
N A:GLN200 4.2 13.4 1.0
N A:CYS199 4.2 11.9 1.0
CA A:ASP202 4.2 10.0 1.0
CA A:GLN200 4.2 13.6 1.0
O A:HOH352 4.3 36.9 1.0
CA A:CYS199 4.4 13.2 1.0
N A:GLY201 4.5 13.0 1.0
O A:ASP202 4.7 11.2 1.0
C A:GLN200 4.7 13.3 1.0
CB A:THR221 4.7 10.3 1.0
C A:GLY198 4.9 12.8 1.0
O A:SER222 5.0 14.7 1.0

Fluorine binding site 2 out of 6 in 2foh

Go back to Fluorine Binding Sites List in 2foh
Fluorine binding site 2 out of 6 in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:43.3
occ:1.00
 F2 A:ETF1001 0.0 43.3 1.0
C1 A:ETF1001 1.3 43.8 1.0
F3 A:ETF1001 2.2 42.1 1.0
F1 A:ETF1001 2.2 42.3 1.0
C2 A:ETF1001 2.3 43.7 1.0
C A:CYS199 3.0 13.7 1.0
CA A:CYS199 3.2 13.2 1.0
O A:CYS199 3.2 14.7 1.0
CG1 A:VAL224 3.3 14.8 1.0
N A:CYS199 3.3 11.9 1.0
N A:GLN200 3.5 13.4 1.0
O A:ETF1001 3.6 45.8 1.0
CG2 A:VAL224 3.6 14.7 1.0
C A:GLY198 3.7 12.8 1.0
O A:GLY198 3.9 11.7 1.0
CB A:VAL224 4.1 13.3 1.0
CA A:GLN200 4.2 13.6 1.0
NE2 A:GLN200 4.4 26.1 1.0
N A:VAL224 4.5 11.6 1.0
CA A:GLY198 4.6 11.9 1.0
CB A:CYS199 4.6 13.2 1.0
CG2 A:THR221 4.7 13.1 1.0
CD A:GLN200 4.8 23.7 1.0
C A:PHE223 4.8 12.1 1.0
OG A:SER203 4.8 23.0 1.0
SG A:CYS229 4.8 13.4 1.0
O A:HOH363 4.9 28.1 1.0
CA A:VAL224 4.9 13.9 1.0

Fluorine binding site 3 out of 6 in 2foh

Go back to Fluorine Binding Sites List in 2foh
Fluorine binding site 3 out of 6 in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:42.1
occ:1.00
 F3 A:ETF1001 0.0 42.1 1.0
C1 A:ETF1001 1.3 43.8 1.0
F1 A:ETF1001 2.1 42.3 1.0
F2 A:ETF1001 2.2 43.3 1.0
C2 A:ETF1001 2.4 43.7 1.0
O A:ETF1001 2.9 45.8 1.0
CA A:PHE223 3.3 11.9 1.0
N A:PHE223 3.5 12.7 1.0
C A:PHE223 3.6 12.1 1.0
O A:SER222 3.6 14.7 1.0
CG2 A:THR221 3.6 13.1 1.0
C A:SER222 3.7 12.4 1.0
N A:VAL224 3.8 11.6 1.0
CG1 A:VAL224 3.8 14.8 1.0
OG A:SER203 4.0 23.0 1.0
O A:PHE223 4.1 12.6 1.0
O A:HOH363 4.3 28.1 1.0
CG2 A:VAL224 4.5 14.7 1.0
N A:SER222 4.5 10.8 1.0
CB A:VAL224 4.6 13.3 1.0
CA A:SER222 4.6 11.1 1.0
CB A:PHE223 4.7 13.5 1.0
CA A:VAL224 4.8 13.9 1.0
O A:CYS199 4.8 14.7 1.0
C A:THR221 4.8 11.4 1.0
CG2 A:THR236 4.9 11.1 1.0
O A:HOH364 4.9 30.9 1.0
CA A:SER203 4.9 12.4 1.0
CB A:THR221 4.9 10.3 1.0
C A:CYS199 5.0 13.7 1.0
N A:SER203 5.0 11.6 1.0

Fluorine binding site 4 out of 6 in 2foh

Go back to Fluorine Binding Sites List in 2foh
Fluorine binding site 4 out of 6 in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1002

b:60.8
occ:1.00
 F1 A:ETF1002 0.0 60.8 1.0
C1 A:ETF1002 1.3 60.8 1.0
F3 A:ETF1002 2.2 61.3 1.0
F2 A:ETF1002 2.2 60.8 1.0
C2 A:ETF1002 2.4 60.3 1.0
O A:ETF1002 2.8 59.8 1.0
CE1 A:PHE223 3.6 15.4 1.0
CD1 A:PHE223 3.7 16.1 1.0
CG1 A:VAL103 3.8 25.5 1.0
CG2 A:THR182 3.9 26.8 1.0
CZ A:PHE223 4.1 16.1 1.0
CG A:PHE223 4.2 15.3 1.0
CB A:ALA104 4.5 19.8 1.0
CZ3 A:TRP179 4.5 20.9 1.0
CE2 A:PHE223 4.6 14.7 1.0
CD2 A:PHE223 4.6 15.6 1.0
N A:ALA104 4.9 19.7 1.0
CB A:PHE223 4.9 13.5 1.0
CH2 A:TRP179 4.9 19.8 1.0
CA A:ALA104 5.0 18.9 1.0

Fluorine binding site 5 out of 6 in 2foh

Go back to Fluorine Binding Sites List in 2foh
Fluorine binding site 5 out of 6 in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1002

b:60.8
occ:1.00
 F2 A:ETF1002 0.0 60.8 1.0
C1 A:ETF1002 1.3 60.8 1.0
F3 A:ETF1002 2.2 61.3 1.0
F1 A:ETF1002 2.2 60.8 1.0
C2 A:ETF1002 2.4 60.3 1.0
O A:ETF1002 3.6 59.8 1.0
CG2 A:THR182 3.8 26.8 1.0
CB A:ALA104 4.4 19.8 1.0
OG1 A:THR182 4.9 30.1 1.0

Fluorine binding site 6 out of 6 in 2foh

Go back to Fluorine Binding Sites List in 2foh
Fluorine binding site 6 out of 6 in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1002

b:61.3
occ:1.00
 F3 A:ETF1002 0.0 61.3 1.0
C1 A:ETF1002 1.3 60.8 1.0
F1 A:ETF1002 2.2 60.8 1.0
F2 A:ETF1002 2.2 60.8 1.0
C2 A:ETF1002 2.4 60.3 1.0
O A:ETF1002 2.8 59.8 1.0
CG1 A:VAL103 4.1 25.5 1.0
CD A:ARG226 4.8 32.0 1.0
CG A:ARG226 4.9 29.1 1.0
O A:HOH366 4.9 51.4 1.0

Reference:

C.Mattos, C.R.Bellamacina, E.Peisach, A.Pereira, D.Vitkup, G.A.Petsko, D.Ringe. Multiple Solvent Crystal Structures: Probing Binding Sites, Plasticity and Hydration J.Mol.Biol. V. 357 1471 2006.
ISSN: ISSN 0022-2836
PubMed: 16488429
DOI: 10.1016/J.JMB.2006.01.039
Page generated: Sun Dec 13 11:36:02 2020

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