Fluorine in PDB 7est: Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms

Enzymatic activity of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms

All present enzymatic activity of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms:
3.4.21.36;

Protein crystallography data

The structure of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms, PDB code: 7est was solved by I.Li De Lasierra, T.Prange, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.80
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 (%) 19 / n/a

Other elements in 7est:

The structure of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms (pdb code 7est). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms, PDB code: 7est:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7est

Go back to Fluorine Binding Sites List in 7est
Fluorine binding site 1 out of 6 in the Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:22.3
occ:1.00
 F1 E:0Z21 0.0 22.3 1.0
C2 E:0Z21 1.3 23.8 1.0
F2 E:0Z21 2.2 24.5 1.0
F3 E:0Z21 2.2 22.6 1.0
C1 E:0Z21 2.4 26.2 1.0
O E:HOH270 2.7 23.5 1.0
O E:0Z21 3.0 24.5 1.0
CG2 E:VAL216 3.2 10.6 1.0
N E:0Z21 3.3 31.1 1.0
N E:CYS191 3.7 3.2 1.0
C E:CYS191 3.7 3.7 1.0
O E:CYS191 3.8 6.2 1.0
CA E:CYS191 3.8 3.4 1.0
N E:VAL216 4.0 11.5 1.0
CG2 E:THR213 4.1 4.5 1.0
C E:GLY190 4.1 4.3 1.0
C E:PHE215 4.2 5.3 1.0
CA E:PHE215 4.3 7.1 1.0
CB E:VAL216 4.3 13.7 1.0
N E:GLN192 4.3 4.2 1.0
O E:SER214 4.5 5.0 1.0
N E:PHE215 4.5 5.2 1.0
CG1 E:VAL216 4.5 14.2 1.0
O1 E:0Z21 4.6 28.4 1.0
CA E:0Z21 4.6 29.7 1.0
O E:GLY190 4.6 4.4 1.0
O E:PHE215 4.6 5.6 1.0
CA E:GLY190 4.7 8.8 1.0
C E:SER214 4.7 6.8 1.0
CA E:VAL216 4.7 15.2 1.0
C E:0Z21 4.9 27.4 1.0
CA E:GLN192 4.9 8.5 1.0

Fluorine binding site 2 out of 6 in 7est

Go back to Fluorine Binding Sites List in 7est
Fluorine binding site 2 out of 6 in the Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:24.5
occ:1.00
 F2 E:0Z21 0.0 24.5 1.0
C2 E:0Z21 1.3 23.8 1.0
F3 E:0Z21 2.1 22.6 1.0
F1 E:0Z21 2.2 22.3 1.0
C1 E:0Z21 2.4 26.2 1.0
N E:0Z21 2.7 31.1 1.0
O E:SER214 2.7 5.0 1.0
C E:SER214 3.0 6.8 1.0
N E:PHE215 3.3 5.2 1.0
CG2 E:THR213 3.4 4.5 1.0
O E:0Z21 3.5 24.5 1.0
CA E:PHE215 3.7 7.1 1.0
N E:SER214 3.8 12.9 1.0
CA E:SER214 3.8 10.9 1.0
CB E:SER195 3.8 9.3 1.0
C E:THR213 3.9 12.9 1.0
O E:THR213 4.0 13.1 1.0
CA E:SER195 4.1 8.6 1.0
O E:HOH270 4.1 23.5 1.0
CA E:0Z21 4.1 29.7 1.0
C E:PHE215 4.3 5.3 1.0
CB E:THR213 4.3 6.6 1.0
CE1 E:HIS57 4.4 4.8 1.0
N E:SER195 4.4 10.2 1.0
CB E:0Z21 4.5 29.2 1.0
N E:VAL216 4.6 11.5 1.0
O1 E:0Z21 4.7 28.4 1.0
CA E:THR213 4.7 7.2 1.0
O E:PHE215 4.8 5.6 1.0
NE2 E:HIS57 4.8 4.5 1.0
OG E:SER195 4.9 12.9 1.0
C E:0Z21 4.9 27.4 1.0
CG2 E:VAL216 4.9 10.6 1.0
O E:CYS191 5.0 6.2 1.0
CB E:PHE215 5.0 6.6 1.0

Fluorine binding site 3 out of 6 in 7est

Go back to Fluorine Binding Sites List in 7est
Fluorine binding site 3 out of 6 in the Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:22.6
occ:1.00
 F3 E:0Z21 0.0 22.6 1.0
C2 E:0Z21 1.4 23.8 1.0
F2 E:0Z21 2.1 24.5 1.0
F1 E:0Z21 2.2 22.3 1.0
C1 E:0Z21 2.4 26.2 1.0
O E:0Z21 3.0 24.5 1.0
O E:CYS191 3.1 6.2 1.0
N E:SER195 3.1 10.2 1.0
CB E:SER195 3.3 9.3 1.0
CA E:SER195 3.4 8.6 1.0
N E:0Z21 3.5 31.1 1.0
C E:CYS191 3.6 3.7 1.0
CG2 E:THR213 3.9 4.5 1.0
C E:ASP194 3.9 8.0 1.0
OG E:SER195 3.9 12.9 1.0
N E:ASP194 4.0 2.9 1.0
CA E:GLN192 4.1 8.5 1.0
N E:GLN192 4.1 4.2 1.0
O E:HOH252 4.2 11.1 1.0
CB E:ASP194 4.2 11.9 1.0
N E:GLY193 4.3 8.5 1.0
CA E:ASP194 4.3 7.2 1.0
N E:CYS191 4.3 3.2 1.0
CA E:CYS191 4.5 3.4 1.0
O E:SER214 4.6 5.0 1.0
C E:GLN192 4.6 9.4 1.0
O E:HOH270 4.6 23.5 1.0
CB E:THR213 4.7 6.6 1.0
CA E:0Z21 4.8 29.7 1.0
O E:ASP194 4.9 8.3 1.0
C E:SER195 5.0 7.7 1.0
C E:GLY193 5.0 5.9 1.0
O E:THR213 5.0 13.1 1.0

Fluorine binding site 4 out of 6 in 7est

Go back to Fluorine Binding Sites List in 7est
Fluorine binding site 4 out of 6 in the Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:18.1
occ:1.00
 F11 E:0Z21 0.0 18.1 1.0
C7 E:0Z21 1.3 22.1 1.0
F21 E:0Z21 2.2 20.9 1.0
F31 E:0Z21 2.2 24.7 1.0
C4 E:0Z21 2.3 19.3 1.0
C31 E:0Z21 2.7 19.6 1.0
C2 E:DMF7 3.3 32.3 1.0
C5 E:0Z21 3.5 18.3 1.0
C21 E:0Z21 4.0 19.6 1.0
N E:DMF7 4.3 33.6 1.0
O E:HOH267 4.5 17.8 1.0
C E:DMF7 4.5 36.7 1.0
C6 E:0Z21 4.6 18.9 1.0
O E:DMF7 4.7 38.2 1.0
C11 E:0Z21 4.8 20.6 1.0

Fluorine binding site 5 out of 6 in 7est

Go back to Fluorine Binding Sites List in 7est
Fluorine binding site 5 out of 6 in the Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:20.9
occ:1.00
 F21 E:0Z21 0.0 20.9 1.0
C7 E:0Z21 1.4 22.1 1.0
F11 E:0Z21 2.2 18.1 1.0
F31 E:0Z21 2.2 24.7 1.0
C4 E:0Z21 2.4 19.3 1.0
C5 E:0Z21 2.9 18.3 1.0
CG2 E:THR175 3.5 11.2 1.0
C31 E:0Z21 3.6 19.6 1.0
C2 E:DMF7 4.1 32.3 1.0
O E:DMF7 4.1 38.2 1.0
C6 E:0Z21 4.2 18.9 1.0
C E:DMF7 4.5 36.7 1.0
OG1 E:THR175 4.6 19.0 1.0
N E:DMF7 4.6 33.6 1.0
CB E:THR175 4.6 16.3 1.0
CB E:ALA99A 4.7 11.5 1.0
C21 E:0Z21 4.8 19.6 1.0

Fluorine binding site 6 out of 6 in 7est

Go back to Fluorine Binding Sites List in 7est
Fluorine binding site 6 out of 6 in the Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1

b:24.7
occ:1.00
 F31 E:0Z21 0.0 24.7 1.0
C7 E:0Z21 1.4 22.1 1.0
F21 E:0Z21 2.2 20.9 1.0
F11 E:0Z21 2.2 18.1 1.0
C4 E:0Z21 2.3 19.3 1.0
C31 E:0Z21 3.0 19.6 1.0
C5 E:0Z21 3.3 18.3 1.0
CB E:ALA99A 3.3 11.5 1.0
N E:ALA99A 3.9 15.6 1.0
CG2 E:THR175 3.9 11.2 1.0
CA E:ALA99A 4.1 10.5 1.0
CG2 E:VAL99 4.2 23.5 1.0
C21 E:0Z21 4.3 19.6 1.0
C6 E:0Z21 4.5 18.9 1.0
CB E:VAL99 4.8 23.1 1.0
CE2 E:PHE215 4.8 2.9 1.0
C E:VAL99 4.8 20.3 1.0
C11 E:0Z21 4.9 20.6 1.0
N E:VAL99 4.9 27.5 1.0

Reference:

I.L.De La Sierra, E.Papamichael, C.Sakarellos, J.L.Dimicoli, T.Prange. Interaction of the Peptide CF3-Leu-Ala-Nh-C6H4-CF3 (Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 A. J.Mol.Recog. V. 3 36 1990.
ISSN: ISSN 0952-3499
PubMed: 2354062
DOI: 10.1002/JMR.300030104
Page generated: Sun Dec 13 13:54:32 2020

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