Zinc in PDB 8b9v: Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120

The structure of Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120, PDB code: 8b9v was solved by K.Bjerregaard-Andersen, K.Carr, B.O.Krogh, P.Kallunki, L.Tagmose, L.David, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.33 / 2.16
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	132.46, 59.05, 69.08, 90, 106.66, 90
R / Rfree (%)	19.7 / 25.3

The binding sites of Zinc atom in the Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120 (pdb code 8b9v). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120, PDB code: 8b9v:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120 within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn301 b:38.3 occ:1.00 OD1 L:ASN138 2.0 44.9 1.0 NE2 H:HIS164 2.4 34.5 1.0 O H:HOH304 2.4 29.1 1.0 OD1 L:ASN137 2.4 39.6 1.0 CG L:ASN138 3.0 42.9 1.0 CD2 H:HIS164 3.0 35.5 1.0 CG L:ASN137 3.2 27.2 1.0 ND2 L:ASN137 3.3 27.6 1.0 ND2 L:ASN138 3.4 48.8 1.0 CE1 H:HIS164 3.5 36.7 1.0 OG1 H:THR183 4.2 40.6 1.0 CB L:ASN138 4.3 35.6 1.0 CG H:HIS164 4.3 35.3 1.0 OG L:SER174 4.3 28.2 1.0 O H:GLY162 4.5 36.8 1.0 ND1 H:HIS164 4.5 36.0 1.0 CB L:ASN137 4.6 25.0 1.0 CA H:GLY162 4.6 43.0 1.0 N L:ASN138 4.6 28.2 1.0 O H:HOH340 4.7 43.4 1.0 C H:GLY162 4.8 45.3 1.0 CG2 H:THR183 4.8 29.8 1.0 O L:HOH431 4.9 29.8 1.0 CA L:ASN138 5.0 36.0 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120 within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn302 b:42.6 occ:1.00 OD1 L:ASP185 1.9 44.7 1.0 NE2 L:HIS189 2.2 49.3 1.0 O L:HOH487 2.4 29.5 1.0 CG L:ASP185 2.8 39.7 1.0 CD2 L:HIS189 3.0 36.8 1.0 OD2 L:ASP185 3.1 33.1 1.0 CE1 L:HIS189 3.2 43.4 1.0 CB L:ASP185 4.2 41.6 1.0 CG L:HIS189 4.2 33.9 1.0 ND1 L:HIS189 4.3 37.8 1.0 CD L:LYS188 4.5 45.5 1.0 O L:ASP185 4.6 34.8 1.0 CA L:ASP185 4.7 44.7 1.0 CB L:LYS188 4.8 42.9 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110- 120 within 5.0Å range: probe atom residue distance (Å) B Occ L:Zn303 b:67.6 occ:0.60 OE1 L:GLU81 2.6 72.2 1.0 OE2 L:GLU81 2.8 75.2 1.0 OE1 L:GLU79 2.8 86.7 1.0 CD L:GLU81 2.9 71.3 1.0 CG L:GLU79 3.2 84.8 1.0 CD L:GLU79 3.2 84.2 1.0 CB L:GLU79 3.5 73.8 1.0 OE2 L:GLU79 4.2 84.3 1.0 CG L:GLU81 4.4 67.9 1.0 CD L:PRO80 4.5 94.1 1.0 CA L:GLU79 4.8 73.8 1.0 NH2 L:ARG61 4.8 68.4 1.0 NH1 L:ARG61 4.9 67.0 1.0 CZ L:ARG61 5.0 60.4 1.0

K.Bjerregaard-Andersen, L.David. Crystal Structure of Lu AF82422 in Complex with Alpha-Synuclein 110-120 To Be Published.