Manganese in PDB 8q41: Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna

The structure of Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna, PDB code: 8q41 was solved by K.Jungfer, A.Sigg, M.Jinek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.33 / 2.38
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.009, 79.322, 95.43, 90, 94.85, 90
R / Rfree (%)	18.6 / 23.5

The binding sites of Manganese atom in the Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna (pdb code 8q41). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna, PDB code: 8q41:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:34.0 occ:1.00 O A:LEU357 2.2 30.1 1.0 O A:HOH622 2.2 33.4 1.0 OD2 A:ASP343 2.3 30.7 1.0 O D:HOH102 2.3 36.2 1.0 O A:HOH604 2.4 29.2 1.0 O D:HOH103 2.5 24.1 1.0 CG A:ASP343 3.2 34.2 1.0 OD1 A:ASP343 3.3 36.1 1.0 C A:LEU357 3.3 30.6 1.0 N A:LEU357 3.7 29.4 1.0 CA A:LEU357 3.9 34.2 1.0 CB A:LEU357 4.3 32.5 1.0 OE2 A:GLU304 4.3 38.8 1.0 N A:THR358 4.5 29.6 1.0 OG A:SER356 4.5 30.4 1.0 CB A:ASP343 4.6 27.3 1.0 O A:HOH640 4.6 27.3 1.0 OP1 D:DA2 4.7 59.1 1.0 OP2 D:DA3 4.7 48.9 1.0 NZ A:LYS369 4.7 58.0 1.0 C A:SER356 4.8 26.7 1.0 CA A:THR358 4.8 34.9 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:66.9 occ:1.00 OD2 A:ASP154 3.3 57.3 1.0 CG A:ASP154 3.5 46.8 1.0 OD1 A:ASP154 3.6 46.3 1.0 CB A:ASP154 4.4 38.3 1.0 CB A:ASN156 4.9 38.7 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of CAN2 (E341A) Bound to CA4 and Tttaaa Ssdna within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn501 b:28.4 occ:1.00 O B:HOH632 2.0 31.0 1.0 O B:HOH665 2.1 37.2 1.0 OD2 B:ASP343 2.2 26.3 1.0 O B:LEU357 2.2 27.8 1.0 O B:HOH602 2.4 25.3 1.0 O C:HOH102 2.4 25.0 1.0 CG B:ASP343 3.2 30.4 1.0 C B:LEU357 3.4 29.2 1.0 OD1 B:ASP343 3.5 26.7 1.0 N B:LEU357 3.7 27.3 1.0 CA B:LEU357 4.0 31.9 1.0 OE2 B:GLU304 4.0 32.1 1.0 O B:HOH636 4.2 45.1 1.0 OG B:SER356 4.3 24.4 1.0 CB B:LEU357 4.4 32.4 1.0 N B:THR358 4.4 23.6 1.0 O C:HOH101 4.5 36.6 1.0 CB B:ASP343 4.6 24.3 1.0 OP1 C:DA2 4.6 82.0 1.0 O B:HOH660 4.8 26.0 1.0 C B:SER356 4.8 24.8 1.0 CA B:THR358 4.8 32.4 1.0 CE B:LYS369 4.8 39.7 1.0 OP2 C:DA3 4.8 81.0 1.0 CD B:GLU304 4.8 38.0 1.0 CG B:GLU304 4.9 36.5 1.0 NZ B:LYS369 5.0 52.3 1.0

K.Jungfer, A.Sigg, M.Jinek. Substrate Selectivity and Catalytic Activation of the Type III Crispr-Associated Ancillary Nuclease CAN2 To Be Published.