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Fluorine in PDB 6s9k: Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls

Enzymatic activity of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls

All present enzymatic activity of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls:
3.4.22.55;

Protein crystallography data

The structure of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls, PDB code: 6s9k was solved by M.Alblova, T.Obsil, V.Obsilova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.72 / 1.60
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 59.790, 78.230, 122.500, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 22.1

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls (pdb code 6s9k). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls, PDB code: 6s9k:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 6s9k

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Fluorine binding site 1 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:63.7
occ:1.00
 F7 A:CFH301 0.0 63.7 1.0
C1 A:CFH301 1.4 51.1 1.0
F6 A:CFH301 2.2 52.2 1.0
F5 A:CFH301 2.2 43.8 1.0
C2 A:CFH301 2.4 29.8 1.0
F8 A:CFH301 2.6 34.7 1.0
O A:HOH416 2.8 39.2 1.0
C3 A:CFH301 3.0 30.5 1.0
OG B:SER147 3.3 61.6 1.0
O4 A:CFH301 3.6 39.3 1.0
F10 A:CFH301 3.6 34.9 1.0
CB B:SER147 3.7 47.2 1.0
O A:HOH619 4.0 36.2 1.0
F9 A:CFH301 4.1 37.1 1.0
O B:SER147 4.2 44.6 1.0
C B:SER147 4.3 48.0 1.0
OE1 A:GLU15 4.5 23.6 1.0
SG B:CYS145 4.5 58.8 1.0
CA B:SER147 4.7 43.5 1.0
N B:CYS148 4.7 36.5 1.0
O B:HOH216 4.8 42.1 1.0
CD2 A:LEU44 4.9 17.1 1.0

Fluorine binding site 2 out of 12 in 6s9k

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Fluorine binding site 2 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:43.8
occ:1.00
 F5 A:CFH301 0.0 43.8 1.0
C1 A:CFH301 1.4 51.1 1.0
F6 A:CFH301 2.2 52.2 1.0
F7 A:CFH301 2.2 63.7 1.0
C2 A:CFH301 2.4 29.8 1.0
F10 A:CFH301 2.7 34.9 1.0
O4 A:CFH301 2.8 39.3 1.0
C3 A:CFH301 2.9 30.5 1.0
F8 A:CFH301 3.3 34.7 1.0
N B:CYS148 3.3 36.5 1.0
CB B:CYS148 3.3 28.1 1.0
SG B:CYS145 3.3 58.8 1.0
CA B:CYS148 3.5 34.4 1.0
C B:SER147 3.5 48.0 1.0
OG B:SER147 3.6 61.6 1.0
O B:SER147 3.7 44.6 1.0
CB B:SER147 4.1 47.2 1.0
F9 A:CFH301 4.2 37.1 1.0
CA B:SER147 4.4 43.5 1.0
SG B:CYS148 4.5 29.3 1.0
CG B:PRO143 4.6 22.6 1.0
N B:SER147 4.9 42.1 1.0

Fluorine binding site 3 out of 12 in 6s9k

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Fluorine binding site 3 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:52.2
occ:1.00
 F6 A:CFH301 0.0 52.2 1.0
C1 A:CFH301 1.4 51.1 1.0
F7 A:CFH301 2.2 63.7 1.0
F5 A:CFH301 2.2 43.8 1.0
C2 A:CFH301 2.4 29.8 1.0
O4 A:CFH301 2.7 39.3 1.0
OE1 A:GLU15 3.7 23.6 1.0
C3 A:CFH301 3.7 30.5 1.0
O B:SER147 4.0 44.6 1.0
OE2 A:GLU15 4.0 25.7 1.0
CD A:GLU15 4.1 21.9 1.0
F8 A:CFH301 4.2 34.7 1.0
F10 A:CFH301 4.2 34.9 1.0
O A:HOH619 4.2 36.2 1.0
O A:HOH469 4.4 27.1 1.0
NZ B:LYS152 4.4 53.3 1.0
C B:SER147 4.5 48.0 1.0
O A:HOH416 4.5 39.2 1.0
CA B:CYS148 4.6 34.4 1.0
N B:CYS148 4.7 36.5 1.0
F9 A:CFH301 4.7 37.1 1.0
CB B:CYS148 4.7 28.1 1.0
OG B:SER147 4.9 61.6 1.0
CB B:SER147 5.0 47.2 1.0

Fluorine binding site 4 out of 12 in 6s9k

Go back to Fluorine Binding Sites List in 6s9k
Fluorine binding site 4 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:34.9
occ:1.00
 F10 A:CFH301 0.0 34.9 1.0
C3 A:CFH301 1.4 30.5 1.0
F9 A:CFH301 2.2 37.1 1.0
F8 A:CFH301 2.2 34.7 1.0
C2 A:CFH301 2.4 29.8 1.0
O4 A:CFH301 2.7 39.3 1.0
F5 A:CFH301 2.7 43.8 1.0
SG B:CYS145 2.9 58.8 1.0
C1 A:CFH301 3.0 51.1 1.0
CB B:PRO143 3.5 24.8 1.0
CG B:PRO143 3.5 22.6 1.0
F7 A:CFH301 3.6 63.7 1.0
CB A:ASN43 3.7 18.1 1.0
CG2 A:VAL47 3.9 18.9 1.0
F6 A:CFH301 4.2 52.2 1.0
O A:ASN43 4.4 17.1 1.0
C A:ASN43 4.4 16.7 1.0
CB B:CYS145 4.5 45.7 1.0
CG A:ASN43 4.6 28.0 1.0
CA A:ASN43 4.7 17.9 1.0
CB B:CYS148 4.8 28.1 1.0
O A:HOH559 4.8 39.2 1.0
O B:HOH216 4.8 42.1 1.0
CB A:VAL47 4.9 19.9 1.0
N A:LEU44 4.9 16.4 1.0
OE2 A:GLU15 4.9 25.7 1.0
OG B:SER147 5.0 61.6 1.0
CA B:PRO143 5.0 20.1 1.0

Fluorine binding site 5 out of 12 in 6s9k

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Fluorine binding site 5 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:34.7
occ:1.00
 F8 A:CFH301 0.0 34.7 1.0
C3 A:CFH301 1.4 30.5 1.0
F9 A:CFH301 2.2 37.1 1.0
F10 A:CFH301 2.2 34.9 1.0
C2 A:CFH301 2.4 29.8 1.0
F7 A:CFH301 2.6 63.7 1.0
C1 A:CFH301 2.9 51.1 1.0
F5 A:CFH301 3.3 43.8 1.0
O4 A:CFH301 3.6 39.3 1.0
O A:HOH416 3.7 39.2 1.0
CB A:ASN43 3.7 18.1 1.0
O B:HOH216 3.8 42.1 1.0
CD2 A:LEU44 3.8 17.1 1.0
SG B:CYS145 3.9 58.8 1.0
CG A:LEU44 3.9 18.2 1.0
N A:LEU44 4.1 16.4 1.0
F6 A:CFH301 4.2 52.2 1.0
O A:GLU40 4.2 19.3 1.0
C A:ASN43 4.3 16.7 1.0
OG B:SER147 4.3 61.6 1.0
CA A:LEU44 4.5 16.1 1.0
CG A:GLU40 4.5 38.6 1.0
CA A:ASN43 4.6 17.9 1.0
O A:ASN43 4.7 17.1 1.0
CB A:LEU44 4.8 16.2 1.0
CG A:ASN43 4.9 28.0 1.0

Fluorine binding site 6 out of 12 in 6s9k

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Fluorine binding site 6 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:37.1
occ:1.00
 F9 A:CFH301 0.0 37.1 1.0
C3 A:CFH301 1.4 30.5 1.0
F8 A:CFH301 2.2 34.7 1.0
F10 A:CFH301 2.2 34.9 1.0
C2 A:CFH301 2.3 29.8 1.0
O4 A:CFH301 2.8 39.3 1.0
O A:ASN43 3.2 17.1 1.0
CG2 A:VAL47 3.3 18.9 1.0
C A:ASN43 3.3 16.7 1.0
CA A:LEU44 3.4 16.1 1.0
N A:LEU44 3.4 16.4 1.0
CD2 A:LEU44 3.6 17.1 1.0
CB A:VAL47 3.6 19.9 1.0
C1 A:CFH301 3.7 51.1 1.0
CB A:ASN43 3.9 18.1 1.0
CG A:LEU44 4.0 18.2 1.0
OE2 A:GLU15 4.1 25.7 1.0
F7 A:CFH301 4.1 63.7 1.0
F5 A:CFH301 4.2 43.8 1.0
CB A:LEU44 4.2 16.2 1.0
CA A:ASN43 4.2 17.9 1.0
OE1 A:GLU15 4.3 23.6 1.0
CG1 A:VAL47 4.3 19.8 1.0
CE A:MET23 4.5 13.2 1.0
C A:LEU44 4.5 15.3 1.0
CD A:GLU15 4.6 21.9 1.0
F6 A:CFH301 4.7 52.2 1.0
O A:LEU44 4.7 14.1 1.0
CB B:PRO143 4.9 24.8 1.0
CA A:VAL47 4.9 13.4 1.0
O A:HOH559 5.0 39.2 1.0
CG B:PRO143 5.0 22.6 1.0

Fluorine binding site 7 out of 12 in 6s9k

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Fluorine binding site 7 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:29.0
occ:1.00
 F7 A:CFH302 0.0 29.0 1.0
C1 A:CFH302 1.4 41.6 1.0
F6 A:CFH302 2.2 36.0 1.0
F5 A:CFH302 2.2 35.4 1.0
C2 A:CFH302 2.4 22.6 1.0
F8 A:CFH302 2.7 31.7 1.0
C3 A:CFH302 2.9 37.0 1.0
F10 A:CFH302 3.2 36.5 1.0
O4 A:CFH302 3.6 41.2 1.0
CD1 A:LEU221 3.6 18.1 1.0
CB A:GLN224 4.1 19.0 1.0
F9 A:CFH302 4.2 40.1 1.0
O A:HOH506 4.4 33.7 1.0
CD2 B:LEU154 4.5 24.6 1.0
CG A:GLN224 4.5 25.6 1.0

Fluorine binding site 8 out of 12 in 6s9k

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Fluorine binding site 8 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:35.4
occ:1.00
 F5 A:CFH302 0.0 35.4 1.0
C1 A:CFH302 1.4 41.6 1.0
F7 A:CFH302 2.2 29.0 1.0
F6 A:CFH302 2.2 36.0 1.0
C2 A:CFH302 2.4 22.6 1.0
F10 A:CFH302 2.5 36.5 1.0
O4 A:CFH302 2.8 41.2 1.0
C3 A:CFH302 2.9 37.0 1.0
F8 A:CFH302 3.6 31.7 1.0
CB B:SER157 3.7 23.5 1.0
CG2 B:THR158 3.7 30.1 1.0
CD1 A:LEU221 4.0 18.1 1.0
F9 A:CFH302 4.1 40.1 1.0
CD2 B:LEU154 4.3 24.6 1.0
O B:HOH207 4.5 40.9 1.0
O B:SER157 4.5 31.3 1.0
OG B:SER157 4.6 21.4 1.0
C B:SER157 4.6 24.4 1.0
O B:LEU154 4.7 23.5 1.0
CD2 A:LEU225 4.8 21.1 1.0
CA B:SER157 4.8 21.0 1.0
OD2 A:ASP228 4.9 25.9 1.0

Fluorine binding site 9 out of 12 in 6s9k

Go back to Fluorine Binding Sites List in 6s9k
Fluorine binding site 9 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:36.0
occ:1.00
 F6 A:CFH302 0.0 36.0 1.0
C1 A:CFH302 1.4 41.6 1.0
F7 A:CFH302 2.2 29.0 1.0
F5 A:CFH302 2.2 35.4 1.0
C2 A:CFH302 2.4 22.6 1.0
O4 A:CFH302 2.8 41.2 1.0
CD1 A:LEU221 3.3 18.1 1.0
CD2 A:LEU225 3.3 21.1 1.0
C3 A:CFH302 3.7 37.0 1.0
CB A:GLN224 3.8 19.0 1.0
OD2 A:ASP228 3.8 25.9 1.0
CG A:LEU225 4.0 15.3 1.0
F10 A:CFH302 4.1 36.5 1.0
O A:LEU221 4.2 14.3 1.0
F8 A:CFH302 4.2 31.7 1.0
N A:LEU225 4.2 14.4 1.0
CB B:SER157 4.4 23.5 1.0
C A:GLN224 4.4 15.3 1.0
CG A:LEU221 4.5 15.8 1.0
CA A:LEU225 4.7 16.8 1.0
F9 A:CFH302 4.7 40.1 1.0
CA A:GLN224 4.7 17.1 1.0
CG A:GLN224 4.8 25.6 1.0
O A:GLN224 4.8 19.2 1.0
O A:HOH506 4.8 33.7 1.0
OG B:SER157 4.8 21.4 1.0
CG A:ASP228 4.9 25.9 1.0
CB A:LEU225 5.0 16.0 1.0

Fluorine binding site 10 out of 12 in 6s9k

Go back to Fluorine Binding Sites List in 6s9k
Fluorine binding site 10 out of 12 in the Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of 14-3-3 Gamma in Complex with Caspase-2 Peptide Containing 14-3-3 Binding Motif SER139 and Nls within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:36.5
occ:1.00
 F10 A:CFH302 0.0 36.5 1.0
C3 A:CFH302 1.4 37.0 1.0
F8 A:CFH302 2.2 31.7 1.0
F9 A:CFH302 2.2 40.1 1.0
C2 A:CFH302 2.4 22.6 1.0
F5 A:CFH302 2.5 35.4 1.0
C1 A:CFH302 2.8 41.6 1.0
O4 A:CFH302 2.9 41.2 1.0
F7 A:CFH302 3.2 29.0 1.0
CG2 B:THR158 3.2 30.1 1.0
F6 A:CFH302 4.1 36.0 1.0
O B:HOH207 4.4 40.9 1.0
CB B:THR158 4.7 29.0 1.0
O A:HOH506 4.9 33.7 1.0

Reference:

D.Kalabova, F.Filandr, M.Alblova, O.Petrvalska, M.Horvath, P.Man, T.Obsil, V.Obsilova. 14-3-3 Protein Binding Blocks the Dimerization Interface of Caspase-2 Febs J. 2020.
ISSN: ISSN 1742-464X
Page generated: Fri Aug 2 01:38:49 2024

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