Fluorine in PDB 7fsv: Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z1454310449

The structure of Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z1454310449, PDB code: 7fsv 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)	113.82 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.911, 49.208, 114.396, 90, 95.35, 90
R / Rfree (%)	22.2 / 28.8

The binding sites of Fluorine atom in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z1454310449 (pdb code 7fsv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z1454310449, PDB code: 7fsv:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z1454310449


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 Z1454310449 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:42.5 occ:0.41 F A:UQS301 0.0 42.5 0.4 C A:UQS301 1.4 42.5 0.4 C5 A:UQS301 2.4 41.7 0.4 C1 A:UQS301 2.4 43.2 0.4 N A:UQS301 2.7 40.7 0.4 C6 A:UQS301 2.8 41.1 0.4 C4 A:UQS301 3.7 41.7 0.4 C2 A:UQS301 3.7 43.1 0.4 C7 A:UQS301 3.9 39.9 0.4 O A:LEU249 4.1 59.7 1.0 CA A:ASN215 4.2 59.7 1.0 C3 A:UQS301 4.2 42.3 0.4 CB A:ASN215 4.2 60.9 1.0 ND2 A:ASN215 4.3 64.4 1.0 O A:ASN215 4.3 60.4 1.0 C A:ASN215 4.3 57.4 1.0 C8 A:UQS301 4.4 39.6 0.4 O A:GLY248 4.8 60.1 1.0 CG A:ASN215 4.8 63.5 1.0 C9 A:UQS301 5.0 39.4 0.4

Fluorine binding site 2 out of 4 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z1454310449


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 Z1454310449 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:35.0 occ:0.50 F B:UQS301 0.0 35.0 0.5 C B:UQS301 1.4 34.7 0.5 C1 B:UQS301 2.4 34.8 0.5 C5 B:UQS301 2.4 34.1 0.5 C6 B:UQS301 2.9 33.8 0.5 CB B:ASN215 3.6 48.6 1.0 ND2 B:ASN215 3.6 53.2 1.0 C2 B:UQS301 3.7 34.5 0.5 C4 B:UQS301 3.7 33.8 0.5 CG B:ASN215 3.8 50.8 1.0 C3 B:UQS301 4.1 34.0 0.5 O B:ASN215 4.2 48.2 1.0 N B:UQS301 4.3 33.2 0.5 CA B:ASN215 4.4 48.3 1.0 O B:HOH428 4.5 49.6 1.0 O B:HOH466 4.6 45.1 1.0 OD1 B:ASN215 4.6 50.8 1.0 O B:HOH424 4.6 44.6 1.0 C B:ASN215 4.8 47.1 1.0 O B:HOH450 4.9 56.2 1.0

Fluorine binding site 3 out of 4 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z1454310449


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 Z1454310449 within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:61.0 occ:0.72 F C:UQS301 0.0 61.0 0.7 C C:UQS301 1.4 58.1 0.7 C5 C:UQS301 2.4 56.0 0.7 C1 C:UQS301 2.4 57.6 0.7 C6 C:UQS301 2.8 54.1 0.7 ND2 C:ASN215 3.6 54.9 1.0 C4 C:UQS301 3.7 55.8 0.7 C2 C:UQS301 3.7 56.7 0.7 CB C:ASN215 3.9 50.3 1.0 CG C:ASN215 4.0 53.0 1.0 C3 C:UQS301 4.2 56.0 0.7 N C:UQS301 4.2 52.6 0.7 CA C:ASN215 4.4 49.3 1.0 O C:ASN215 4.5 44.7 1.0 C C:ASN215 4.8 46.6 1.0

Fluorine binding site 4 out of 4 in the Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z1454310449


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 Z1454310449 within 5.0Å range: probe atom residue distance (Å) B Occ D:F301 b:26.4 occ:0.51 F D:UQS301 0.0 26.4 0.5 C D:UQS301 1.4 26.0 0.5 C5 D:UQS301 2.4 25.6 0.5 C1 D:UQS301 2.4 25.9 0.5 C6 D:UQS301 2.8 25.8 0.5 C4 D:UQS301 3.6 25.3 0.5 C2 D:UQS301 3.7 25.5 0.5 C3 D:UQS301 4.1 25.2 0.5 N D:UQS301 4.2 25.5 0.5 ND2 D:ASN215 4.2 49.4 1.0 CB D:ASN215 4.2 47.3 1.0 O D:ASN215 4.3 42.6 1.0 O D:HOH414 4.4 38.7 1.0 CA D:ASN215 4.4 45.6 1.0 CG D:ASN215 4.6 49.4 1.0 C D:ASN215 4.7 42.8 1.0 O D:HOH402 4.9 37.8 1.0 O D:HOH473 5.0 44.1 1.0

W.J.Bradshaw, V.L.Katis, C.Bountra, F.Von Delft, P.E.Brennan. Sdcbp Pandda Analysis Group Deposition To Be Published.