Manganese in PDB 8q42: Crystal Structure of CA4-Bound CAN2 (E341A) in Complex with Oligo-A Dna

The structure of Crystal Structure of CA4-Bound CAN2 (E341A) in Complex with Oligo-A Dna, PDB code: 8q42 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)	47.23 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.897, 78.026, 94.791, 90, 95.45, 90
R / Rfree (%)	18.6 / 21.7

The binding sites of Manganese atom in the Crystal Structure of CA4-Bound CAN2 (E341A) in Complex with Oligo-A Dna (pdb code 8q42). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of CA4-Bound CAN2 (E341A) in Complex with Oligo-A Dna, PDB code: 8q42:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of CA4-Bound CAN2 (E341A) in Complex with Oligo-A Dna


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 CA4-Bound CAN2 (E341A) in Complex with Oligo-A Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:76.0 occ:1.00 O A:LEU357 2.2 36.4 1.0 OD2 A:ASP343 2.2 35.1 1.0 O A:HOH607 2.3 49.7 1.0 O A:HOH649 2.3 37.0 1.0 O A:HOH631 2.4 47.5 1.0 O D:HOH102 2.5 50.0 1.0 CG A:ASP343 3.1 36.4 1.0 C A:LEU357 3.3 37.9 1.0 OD1 A:ASP343 3.3 38.0 1.0 N A:LEU357 3.6 34.5 1.0 CA A:LEU357 3.8 35.0 1.0 OE2 A:GLU304 4.0 45.5 1.0 CB A:LEU357 4.1 35.7 1.0 O A:HOH693 4.2 39.2 1.0 NZ A:LYS369 4.3 50.9 1.0 OP2 D:DA3 4.4 79.7 1.0 N A:THR358 4.4 38.7 1.0 OP2 D:DA2 4.5 86.8 1.0 CB A:ASP343 4.5 34.6 1.0 O A:HOH630 4.5 44.3 1.0 OG A:SER356 4.5 33.4 1.0 CA A:THR358 4.7 40.9 1.0 O A:HOH714 4.7 35.4 1.0 C A:SER356 4.7 32.5 1.0 OP1 D:DA2 4.8 81.3 1.0 C5' D:DA2 4.9 78.8 1.0 CB A:THR358 4.9 43.0 1.0 CD A:GLU304 4.9 42.7 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of CA4-Bound CAN2 (E341A) in Complex with Oligo-A Dna


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 CA4-Bound CAN2 (E341A) in Complex with Oligo-A Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn501 b:47.3 occ:1.00 OD2 B:ASP343 2.3 36.6 1.0 O B:LEU357 2.4 37.1 1.0 O B:HOH607 2.4 40.6 1.0 O B:HOH617 2.5 40.1 1.0 O B:HOH711 2.5 41.5 1.0 O B:HOH675 2.5 41.1 1.0 CG B:ASP343 3.2 38.5 1.0 OD1 B:ASP343 3.4 39.5 1.0 C B:LEU357 3.5 36.7 1.0 N B:LEU357 3.7 35.4 1.0 OE2 B:GLU304 4.0 41.4 1.0 CA B:LEU357 4.0 36.7 1.0 CB B:LEU357 4.4 37.1 1.0 O B:HOH651 4.4 37.2 1.0 OG B:SER356 4.4 36.3 1.0 N B:THR358 4.6 36.8 1.0 CB B:ASP343 4.6 36.5 1.0 O B:HOH709 4.7 46.8 1.0 O B:HOH699 4.8 37.2 1.0 CD B:GLU304 4.8 40.8 1.0 C B:SER356 4.9 35.5 1.0 CA B:THR358 4.9 36.9 1.0 CG B:GLU304 5.0 39.3 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.