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Fluorine in PDB 7ft3: Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160

Protein crystallography data

The structure of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160, PDB code: 7ft3 was solved by W.J.Bradshaw, V.L.Katis, C.Bountra, F.Von Delft, P.E.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 115.45 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.55, 49.703, 115.895, 90, 95.04, 90
R / Rfree (%) 22.4 / 27.9

Fluorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Fluorine atom in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 (pdb code 7ft3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160, PDB code: 7ft3:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 7ft3

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Fluorine binding site 1 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:54.6
occ:0.84
 F B:LV4301 0.0 54.6 0.8
C7 B:LV4301 1.4 54.6 0.8
F2 B:LV4301 2.2 55.1 0.8
F1 B:LV4301 2.2 54.0 0.8
O B:LV4301 2.3 55.1 0.8
C3 B:LV4301 3.1 55.9 0.8
O B:HOH439 3.3 45.8 1.0
C2 B:LV4301 3.6 56.3 0.8
CA B:LYS223 3.8 56.4 1.0
C4 B:LV4301 4.2 56.0 0.8
CB B:LYS223 4.3 58.2 1.0
CG B:LYS223 4.3 60.1 1.0
N B:LYS223 4.4 52.0 1.0
N B:LV4301 4.5 54.4 0.8
N B:ASP224 4.8 57.6 1.0
C1 B:LV4301 4.8 56.9 0.8
O B:ILE221 4.8 49.6 1.0
C B:VAL222 4.9 52.2 1.0
C B:LYS223 4.9 56.6 1.0
O B:VAL222 5.0 45.8 1.0

Fluorine binding site 2 out of 12 in 7ft3

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Fluorine binding site 2 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:54.0
occ:0.84
 F1 B:LV4301 0.0 54.0 0.8
C7 B:LV4301 1.4 54.6 0.8
F2 B:LV4301 2.2 55.1 0.8
F B:LV4301 2.2 54.6 0.8
O B:LV4301 2.3 55.1 0.8
C3 B:LV4301 2.8 55.9 0.8
N B:LV4301 2.9 54.4 0.8
C4 B:LV4301 3.1 56.0 0.8
C6 B:LV4301 3.2 53.9 0.8
N1 B:LV4301 3.6 54.4 0.8
O B:ILE221 3.9 49.6 1.0
C2 B:LV4301 3.9 56.3 0.8
S B:LV4301 4.1 52.1 0.8
CB B:ILE221 4.2 44.9 1.0
C5 B:LV4301 4.3 57.5 0.8
CG2 B:ILE221 4.6 43.3 1.0
C B:ILE221 4.6 47.0 1.0
C1 B:LV4301 4.9 56.9 0.8
CA B:ILE221 5.0 44.0 1.0

Fluorine binding site 3 out of 12 in 7ft3

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Fluorine binding site 3 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:55.1
occ:0.84
 F2 B:LV4301 0.0 55.1 0.8
C7 B:LV4301 1.4 54.6 0.8
O B:LV4301 2.2 55.1 0.8
F B:LV4301 2.2 54.6 0.8
F1 B:LV4301 2.2 54.0 0.8
O B:ILE221 3.2 49.6 1.0
O B:VAL222 3.3 45.8 1.0
C B:VAL222 3.4 52.2 1.0
CG2 B:ILE221 3.4 43.3 1.0
N B:LYS223 3.5 52.0 1.0
C3 B:LV4301 3.5 55.9 0.8
C B:ILE221 3.6 47.0 1.0
CB B:ILE221 3.6 44.9 1.0
CA B:LYS223 3.6 56.4 1.0
N B:LV4301 3.9 54.4 0.8
CB B:ALA228 4.0 41.1 1.0
N B:VAL222 4.1 50.9 1.0
C4 B:LV4301 4.2 56.0 0.8
CA B:ILE221 4.2 44.0 1.0
O B:HOH439 4.2 45.8 1.0
CA B:VAL222 4.3 50.3 1.0
C2 B:LV4301 4.5 56.3 0.8
C B:LYS223 4.6 56.6 1.0
CB B:LYS223 4.6 58.2 1.0
C6 B:LV4301 4.7 53.9 0.8
CA B:ALA228 4.8 40.8 1.0
N B:ASP224 4.8 57.6 1.0
CG1 B:ILE221 4.9 44.9 1.0

Fluorine binding site 4 out of 12 in 7ft3

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Fluorine binding site 4 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F301

b:52.1
occ:0.76
 F C:LV4301 0.0 52.1 0.8
C7 C:LV4301 1.4 52.1 0.8
F2 C:LV4301 2.2 52.9 0.8
O C:LV4301 2.3 52.4 0.8
F1 C:LV4301 2.3 51.5 0.8
C3 C:LV4301 2.8 53.4 0.8
N C:LV4301 3.2 50.5 0.8
C6 C:LV4301 3.2 49.5 0.8
O C:ALA167 3.2 45.9 1.0
C4 C:LV4301 3.3 52.3 0.8
N1 C:LV4301 3.3 48.4 0.8
C C:ALA167 3.3 45.7 1.0
CA C:GLY168 3.4 48.5 1.0
N C:GLY168 3.4 47.0 1.0
C2 C:LV4301 3.8 54.6 0.8
O A:ILE221 3.9 52.7 1.0
CB C:ALA167 3.9 48.0 1.0
O C:HOH440 4.0 57.9 1.0
S C:LV4301 4.1 49.2 0.8
CA C:ALA167 4.2 46.5 1.0
CB A:ILE221 4.3 46.9 1.0
C5 C:LV4301 4.4 53.6 0.8
C A:ILE221 4.5 52.6 1.0
C C:GLY168 4.7 51.8 1.0
C1 C:LV4301 4.9 55.6 0.8
CG2 A:ILE221 4.9 49.4 1.0
CA A:ILE221 5.0 50.2 1.0

Fluorine binding site 5 out of 12 in 7ft3

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Fluorine binding site 5 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F301

b:51.5
occ:0.76
 F1 C:LV4301 0.0 51.5 0.8
C7 C:LV4301 1.4 52.1 0.8
F2 C:LV4301 2.2 52.9 0.8
O C:LV4301 2.2 52.4 0.8
F C:LV4301 2.3 52.1 0.8
C3 C:LV4301 3.5 53.4 0.8
C A:VAL222 3.6 57.4 0.8
O A:VAL222 3.6 55.8 0.8
CB C:ALA167 3.7 48.0 1.0
N A:LYS223 3.7 59.5 0.8
O A:ILE221 3.7 52.7 1.0
CA A:LYS223 3.8 59.8 0.8
CB A:ALA228 3.8 50.5 1.0
C A:ILE221 3.9 52.6 1.0
O C:ALA167 4.0 45.9 1.0
N A:VAL222 4.1 54.4 0.8
O A:HOH418 4.1 45.9 0.8
CG2 A:ILE221 4.1 49.4 1.0
CB A:ILE221 4.1 46.9 1.0
C2 C:LV4301 4.3 54.6 0.8
CA A:VAL222 4.3 56.3 0.8
C C:ALA167 4.3 45.7 1.0
C4 C:LV4301 4.5 52.3 0.8
N C:LV4301 4.5 50.5 0.8
C A:LYS223 4.6 60.1 0.8
CA C:ALA167 4.6 46.5 1.0
CA A:ILE221 4.7 50.2 1.0
CA A:ALA228 4.8 50.7 1.0
N A:ASP224 4.8 60.7 0.8
CB A:LYS223 4.8 60.5 0.8
C6 C:LV4301 5.0 49.5 0.8

Fluorine binding site 6 out of 12 in 7ft3

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Fluorine binding site 6 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F301

b:52.9
occ:0.76
 F2 C:LV4301 0.0 52.9 0.8
C7 C:LV4301 1.4 52.1 0.8
F1 C:LV4301 2.2 51.5 0.8
F C:LV4301 2.2 52.1 0.8
O C:LV4301 2.3 52.4 0.8
C3 C:LV4301 2.8 53.4 0.8
C2 C:LV4301 2.9 54.6 0.8
O C:ALA167 2.9 45.9 1.0
C C:ALA167 3.8 45.7 1.0
C4 C:LV4301 3.9 52.3 0.8
O A:HOH418 4.0 45.9 0.8
O C:HOH440 4.0 57.9 1.0
C1 C:LV4301 4.1 55.6 0.8
CA A:LYS223 4.3 59.8 0.8
CB C:ALA167 4.4 48.0 1.0
CA C:GLY168 4.4 48.5 1.0
N C:GLY168 4.5 47.0 1.0
N C:LV4301 4.6 50.5 0.8
N A:LYS223 4.7 59.5 0.8
CA C:ALA167 4.7 46.5 1.0
CB A:LYS223 4.7 60.5 0.8
C5 C:LV4301 4.9 53.6 0.8
N1 C:LV4301 4.9 48.4 0.8
C C:LV4301 5.0 54.7 0.8

Fluorine binding site 7 out of 12 in 7ft3

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Fluorine binding site 7 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F302

b:56.5
occ:1.00
 F C:LV4302 0.0 56.5 1.0
C7 C:LV4302 1.4 59.4 1.0
O C:LV4302 2.2 60.8 1.0
F1 C:LV4302 2.3 58.0 1.0
F2 C:LV4302 2.3 58.0 1.0
C3 C:LV4302 2.7 60.9 1.0
N C:LV4302 3.0 60.6 1.0
C6 C:LV4302 3.0 59.9 1.0
C4 C:LV4302 3.1 61.4 1.0
N1 C:LV4302 3.1 60.1 1.0
O A:ALA167 3.2 47.1 1.0
C A:ALA167 3.3 46.6 1.0
CB A:ALA167 3.6 51.7 1.0
N A:GLY168 3.6 46.2 1.0
CA A:GLY168 3.7 47.3 1.0
C2 C:LV4302 3.7 61.7 1.0
O C:ILE221 3.7 50.7 1.0
S C:LV4302 4.1 60.1 1.0
CA A:ALA167 4.1 49.4 1.0
C5 C:LV4302 4.2 61.4 1.0
CB C:ILE221 4.3 46.7 1.0
C C:ILE221 4.5 51.0 1.0
C1 C:LV4302 4.7 61.8 1.0
C A:GLY168 4.8 50.7 1.0
C C:LV4302 4.9 61.6 1.0
CG2 C:ILE221 4.9 46.7 1.0
N C:LYS223 5.0 58.3 1.0
CA C:ILE221 5.0 47.5 1.0

Fluorine binding site 8 out of 12 in 7ft3

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Fluorine binding site 8 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F302

b:58.0
occ:1.00
 F1 C:LV4302 0.0 58.0 1.0
C7 C:LV4302 1.4 59.4 1.0
F2 C:LV4302 2.2 58.0 1.0
F C:LV4302 2.3 56.5 1.0
O C:LV4302 2.3 60.8 1.0
CB A:ALA167 3.3 51.7 1.0
O C:VAL222 3.5 54.2 1.0
N C:LYS223 3.5 58.3 1.0
CA C:LYS223 3.5 60.0 1.0
C C:VAL222 3.5 57.8 1.0
C3 C:LV4302 3.6 60.9 1.0
CB C:ALA228 3.7 48.0 1.0
O C:ILE221 3.7 50.7 1.0
CG2 C:ILE221 4.0 46.7 1.0
C C:ILE221 4.1 51.0 1.0
O A:ALA167 4.1 47.1 1.0
CB C:ILE221 4.1 46.7 1.0
C2 C:LV4302 4.4 61.7 1.0
C A:ALA167 4.4 46.6 1.0
N C:VAL222 4.4 53.7 1.0
CA A:ALA167 4.4 49.4 1.0
N C:LV4302 4.4 60.6 1.0
C4 C:LV4302 4.5 61.4 1.0
N C:ASP224 4.5 59.4 1.0
C C:LYS223 4.5 59.4 1.0
CA C:VAL222 4.5 56.1 1.0
CB C:LYS223 4.6 62.7 1.0
CA C:ALA228 4.6 47.1 1.0
CA C:ILE221 4.8 47.5 1.0
C6 C:LV4302 4.9 59.9 1.0
CG C:LYS223 4.9 65.0 1.0

Fluorine binding site 9 out of 12 in 7ft3

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Fluorine binding site 9 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F302

b:58.0
occ:1.00
 F2 C:LV4302 0.0 58.0 1.0
C7 C:LV4302 1.4 59.4 1.0
F1 C:LV4302 2.2 58.0 1.0
O C:LV4302 2.3 60.8 1.0
F C:LV4302 2.3 56.5 1.0
C3 C:LV4302 2.8 60.9 1.0
C2 C:LV4302 2.9 61.7 1.0
O A:ALA167 3.2 47.1 1.0
O C:HOH407 3.2 45.0 1.0
CA C:LYS223 3.8 60.0 1.0
CG C:LYS223 3.9 65.0 1.0
C4 C:LV4302 3.9 61.4 1.0
C A:ALA167 4.0 46.6 1.0
CB C:LYS223 4.1 62.7 1.0
C1 C:LV4302 4.1 61.8 1.0
N C:LYS223 4.2 58.3 1.0
CB A:ALA167 4.2 51.7 1.0
N C:LV4302 4.5 60.6 1.0
CA A:ALA167 4.7 49.4 1.0
NZ C:LYS223 4.7 69.6 1.0
C5 C:LV4302 4.8 61.4 1.0
N A:GLY168 4.8 46.2 1.0
C C:VAL222 4.9 57.8 1.0
O C:ILE221 4.9 50.7 1.0
C C:LV4302 4.9 61.6 1.0
N1 C:LV4302 4.9 60.1 1.0
CA A:GLY168 5.0 47.3 1.0
CD C:LYS223 5.0 66.5 1.0

Fluorine binding site 10 out of 12 in 7ft3

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Fluorine binding site 10 out of 12 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z291279160 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F301

b:51.3
occ:0.90
 F D:LV4301 0.0 51.3 0.9
C7 D:LV4301 1.4 50.1 0.9
F1 D:LV4301 2.2 50.6 0.9
O D:LV4301 2.2 50.0 0.9
F2 D:LV4301 2.2 49.2 0.9
C3 D:LV4301 2.8 49.8 0.9
N D:LV4301 2.9 49.6 0.9
C4 D:LV4301 3.1 49.2 0.9
C6 D:LV4301 3.1 49.0 0.9
N1 D:LV4301 3.5 48.1 0.9
C2 D:LV4301 3.7 49.4 0.9
S D:LV4301 4.0 50.1 0.9
O D:ILE221 4.0 46.3 1.0
C5 D:LV4301 4.2 48.9 0.9
CB D:ILE221 4.5 44.0 1.0
C1 D:LV4301 4.7 49.9 0.9
CG2 D:ILE221 4.8 44.5 1.0
C D:ILE221 4.8 45.1 1.0
C D:LV4301 4.9 50.0 0.9

Reference:

W.J.Bradshaw, V.L.Katis, C.Bountra, F.Von Delft, P.E.Brennan. Sdcbp Pandda Analysis Group Deposition To Be Published.
Page generated: Fri Aug 2 07:10:27 2024

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