Manganese in PDB 6o7d: Crystal Structure of CSM1-CSM4 Cassette in Complex with One Atp

The structure of Crystal Structure of CSM1-CSM4 Cassette in Complex with One Atp, PDB code: 6o7d 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)	50.00 / 2.81
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	156.776, 156.776, 185.767, 90.00, 90.00, 120.00
R / Rfree (%)	25 / 29.9

The binding sites of Manganese atom in the Crystal Structure of CSM1-CSM4 Cassette in Complex with One Atp (pdb code 6o7d). 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 One Atp, PDB code: 6o7d:
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 One Atp


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 One Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn802 b:0.8 occ:1.00 OD1 A:ASP588 2.3 0.9 1.0 OD1 A:ASP521 2.3 89.2 1.0 O2A A:ATP801 2.4 0.6 1.0 OD2 A:ASP589 2.8 0.8 1.0 CG A:ASP588 3.2 0.5 1.0 CG A:ASP521 3.4 86.9 1.0 OD2 A:ASP588 3.4 0.8 1.0 CG A:ASP589 3.7 0.9 1.0 PA A:ATP801 3.8 0.4 1.0 OD2 A:ASP521 3.8 90.4 1.0 CB A:ASP589 3.9 0.8 1.0 O5' A:ATP801 4.1 0.5 1.0 MN A:MN803 4.1 0.6 1.0 O A:GLY587 4.2 0.6 1.0 O A:ASP588 4.5 0.3 1.0 C A:ASP588 4.6 0.4 1.0 CB A:ASP588 4.6 0.8 1.0 CA A:ASP589 4.6 0.4 1.0 CB A:ASP521 4.6 84.3 1.0 N A:ASP589 4.7 0.3 1.0 O3A A:ATP801 4.7 0.3 1.0 OD1 A:ASP589 4.8 0.5 1.0 O1A A:ATP801 4.8 0.2 1.0

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


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 One Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn803 b:0.6 occ:1.00 OD2 A:ASP521 2.0 90.4 1.0 O3A A:ATP801 2.3 0.3 1.0 O A:VAL522 2.3 79.3 1.0 OD2 A:ASP588 2.5 0.8 1.0 O2A A:ATP801 2.6 0.6 1.0 O1G A:ATP801 2.8 0.1 1.0 PA A:ATP801 3.0 0.4 1.0 O2B A:ATP801 3.1 0.5 1.0 CG A:ASP521 3.1 86.9 1.0 PB A:ATP801 3.2 0.0 1.0 O3B A:ATP801 3.5 0.4 1.0 C A:VAL522 3.5 79.7 1.0 PG A:ATP801 3.5 0.7 1.0 OD1 A:ASP521 3.6 89.2 1.0 CG A:ASP588 3.6 0.5 1.0 NZ A:LYS648 3.8 0.3 1.0 O3G A:ATP801 3.8 0.6 1.0 N A:VAL522 3.9 80.3 1.0 O1A A:ATP801 4.1 0.2 1.0 MN A:MN802 4.1 0.8 1.0 O5' A:ATP801 4.1 0.5 1.0 OD1 A:ASP588 4.2 0.9 1.0 CA A:VAL522 4.2 80.8 1.0 CB A:ASP521 4.4 84.3 1.0 CB A:LEU525 4.4 0.8 1.0 O1B A:ATP801 4.5 0.4 1.0 C5' A:ATP801 4.5 0.1 1.0 N A:ASP523 4.6 81.4 1.0 CB A:VAL522 4.6 82.3 1.0 C A:ASP521 4.7 80.9 1.0 N A:LEU525 4.7 99.7 1.0 N A:ARG524 4.8 93.4 1.0 CB A:ASP588 4.8 0.8 1.0 CA A:ASP523 4.9 84.4 1.0 O2G A:ATP801 5.0 0.1 1.0 CA A:ASP521 5.0 82.8 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