Manganese in PDB 6o75: Crystal Structure of CSM1-CSM4 Cassette in Complex with Pppapa

The structure of Crystal Structure of CSM1-CSM4 Cassette in Complex with Pppapa, PDB code: 6o75 was solved by N.Jia, D.J.Patel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.43 / 2.60
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	156.445, 156.445, 186.415, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 27.1

The binding sites of Manganese atom in the Crystal Structure of CSM1-CSM4 Cassette in Complex with Pppapa (pdb code 6o75). 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 CSM1-CSM4 Cassette in Complex with Pppapa, PDB code: 6o75:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of CSM1-CSM4 Cassette in Complex with Pppapa


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 CSM1-CSM4 Cassette in Complex with Pppapa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn801 b:92.4 occ:1.00 O1A C:ATP1 2.1 82.4 1.0 OD2 A:ASP521 2.4 75.6 1.0 OD1 A:ASP588 2.7 62.0 1.0 O3' D:A2 3.2 76.9 1.0 CG A:ASP521 3.2 63.4 1.0 OD1 A:ASP521 3.4 68.6 1.0 CG A:ASP588 3.5 61.0 1.0 OD2 A:ASP588 3.5 55.2 1.0 PA C:ATP1 3.6 74.9 1.0 MN A:MN802 3.8 72.8 1.0 OP1 D:A2 3.9 0.3 1.0 O3A C:ATP1 4.3 76.9 1.0 O5' C:ATP1 4.3 83.0 1.0 O2' D:ATP1 4.3 0.3 1.0 CB A:ALA589 4.3 57.8 1.0 C3' D:A2 4.4 78.8 1.0 O2A C:ATP1 4.6 79.4 1.0 CB A:ASP521 4.6 63.8 1.0 C5' C:ATP1 4.6 91.0 1.0 O A:ASP588 4.8 61.5 1.0 C2' C:ATP1 4.9 88.6 1.0 CB A:ASP588 4.9 63.1 1.0 C A:ASP588 4.9 60.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of CSM1-CSM4 Cassette in Complex with Pppapa


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 CSM1-CSM4 Cassette in Complex with Pppapa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn802 b:72.8 occ:1.00 O A:VAL522 2.1 53.5 1.0 O3A C:ATP1 2.2 76.9 1.0 OD1 A:ASP521 2.3 68.6 1.0 O3G C:ATP1 2.5 68.4 1.0 OD2 A:ASP588 2.6 55.2 1.0 O1A C:ATP1 2.9 82.4 1.0 O2B C:ATP1 3.1 76.5 1.0 PA C:ATP1 3.2 74.9 1.0 PB C:ATP1 3.2 68.9 1.0 C A:VAL522 3.3 50.3 1.0 CG A:ASP521 3.4 63.4 1.0 NZ A:LYS648 3.5 79.8 1.0 PG C:ATP1 3.6 67.2 1.0 O3B C:ATP1 3.7 74.4 1.0 CG A:ASP588 3.8 61.0 1.0 MN A:MN801 3.8 92.4 1.0 N A:VAL522 3.9 58.1 1.0 O2G C:ATP1 4.0 67.7 1.0 OD2 A:ASP521 4.0 75.6 1.0 CA A:VAL522 4.1 54.3 1.0 O2A C:ATP1 4.2 79.4 1.0 OD1 A:ASP588 4.3 62.0 1.0 O5' C:ATP1 4.3 83.0 1.0 N A:ASP523 4.4 51.3 1.0 C A:ASP521 4.4 63.6 1.0 O1B C:ATP1 4.4 76.8 1.0 C5' C:ATP1 4.5 91.0 1.0 CB A:LEU525 4.5 75.1 1.0 CB A:ASP521 4.6 63.8 1.0 CA A:ASP523 4.6 55.1 1.0 CB A:VAL522 4.6 58.6 1.0 N A:ARG524 4.7 68.9 1.0 N A:LEU525 4.8 71.5 1.0 C A:ASP523 4.8 60.8 1.0 O1G C:ATP1 4.8 73.3 1.0 CE A:LYS648 4.9 75.3 1.0 CA A:ASP521 4.9 63.3 1.0 O A:ASP521 4.9 62.2 1.0 CB A:ASP588 5.0 63.1 1.0

N.Jia, R.Jones, G.Sukenick, D.J.Patel. Second Messenger CA4FORMATION Within the Composite CSM1 Palm Pocket of Type III-A Crispr-Cas Csm Complex and Its Release Path. Mol.Cell V. 75 933 2019.
ISSN: ISSN 1097-2765
PubMed: 31326272
DOI: 10.1016/J.MOLCEL.2019.06.013