Manganese in PDB 7mid: Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna

All present enzymatic activity of Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna:
3.1.12.1;

The structure of Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Manganese atom in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna (pdb code 7mid). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna, PDB code: 7mid:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn602 b:30.0 occ:1.00 OE2 A:GLU380 2.1 73.7 1.0 OE2 A:GLU466 2.3 57.5 1.0 CD A:GLU466 3.2 57.5 1.0 CD A:GLU380 3.3 73.7 1.0 OE1 A:GLU466 3.3 57.5 1.0 NE2 A:HIS451 3.4 59.7 1.0 OE1 A:GLU380 3.7 73.7 1.0 CE1 A:HIS451 3.9 59.7 1.0 CG A:GLU380 4.5 73.7 1.0 CG A:GLU466 4.6 57.5 1.0 CD2 A:HIS451 4.7 59.7 1.0 NH1 A:ARG469 4.7 57.2 1.0 CZ A:ARG469 4.7 57.2 1.0 NH2 A:ARG469 4.9 57.2 1.0

Manganese binding site 2 out of 5 in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn601 b:30.0 occ:1.00 OE2 B:GLU380 1.8 95.7 1.0 OE1 B:GLU466 2.2 77.1 1.0 CD B:GLU380 3.0 95.7 1.0 CD B:GLU466 3.0 77.1 1.0 OE2 B:GLU466 3.4 77.1 1.0 OE1 B:GLU380 3.6 95.7 1.0 CG B:GLU380 4.1 95.7 1.0 NE2 B:HIS451 4.3 64.5 1.0 CG B:GLU466 4.3 77.1 1.0 CE1 B:HIS451 4.4 64.5 1.0 CE B:LYS331 4.7 89.8 1.0 CE2 B:TYR450 4.9 71.3 1.0 NE B:ARG469 5.0 83.9 1.0

Manganese binding site 3 out of 5 in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn101 b:30.0 occ:1.00 O C:TYR9 1.8 50.6 1.0 OG C:SER34 1.8 47.3 1.0 OP1 F:DC15 2.5 59.8 1.0 CB C:SER34 2.7 47.3 1.0 OD1 C:ASP10 2.7 53.9 1.0 C C:TYR9 2.9 50.6 1.0 N C:TYR9 3.6 50.6 1.0 O C:SER34 3.8 47.3 1.0 CA C:TYR9 3.8 50.6 1.0 N C:ASP10 3.8 53.9 1.0 P F:DC15 3.9 59.8 1.0 CG C:ASP10 4.0 53.9 1.0 CA C:SER34 4.1 47.3 1.0 CA C:ASP10 4.2 53.9 1.0 C C:SER34 4.3 47.3 1.0 CD1 C:TYR9 4.4 50.6 1.0 OP2 F:DC15 4.5 59.8 1.0 C C:SER8 4.6 48.9 1.0 O5' F:DC15 4.7 59.8 1.0 CG C:TYR9 4.7 50.6 1.0 CB C:ASP10 4.7 53.9 1.0 CB C:TYR9 4.8 50.6 1.0 N C:SER34 4.9 47.3 1.0 OD2 C:ASP10 4.9 53.9 1.0 O3' F:DC14 4.9 65.5 1.0 OE1 D:GLN32 4.9 50.1 1.0 C5' F:DC15 4.9 59.8 1.0 CE1 C:TYR9 4.9 50.6 1.0

Manganese binding site 4 out of 5 in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn101 b:30.0 occ:1.00 OG D:SER34 2.0 49.9 1.0 OP1 E:DC15 2.1 60.0 1.0 O D:TYR9 2.4 51.5 1.0 OD1 D:ASP10 2.7 56.2 1.0 CB D:SER34 2.8 49.9 1.0 P E:DC15 3.5 60.0 1.0 C D:TYR9 3.5 51.5 1.0 CG D:ASP10 3.9 56.2 1.0 C5' E:DC15 4.0 60.0 1.0 O5' E:DC15 4.0 60.0 1.0 CA D:SER34 4.2 49.9 1.0 N D:ASP10 4.3 56.2 1.0 O D:SER34 4.4 49.9 1.0 CA D:ASP10 4.4 56.2 1.0 N D:TYR9 4.4 51.5 1.0 OP2 E:DC15 4.5 60.0 1.0 O3' E:DC14 4.5 65.0 1.0 CB C:LEU33 4.5 49.8 1.0 CA D:TYR9 4.6 51.5 1.0 C D:SER34 4.7 49.9 1.0 CB D:ASP10 4.8 56.2 1.0 OD2 D:ASP10 4.8 56.2 1.0 N D:SER34 4.9 49.9 1.0 CD1 D:TYR9 4.9 51.5 1.0

Manganese binding site 5 out of 5 in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna within 5.0Å range: probe atom residue distance (Å) B Occ F:Mn801 b:80.0 occ:1.00 OP1 F:DG32 1.6 64.3 1.0 NE2 A:HIS48 1.8 70.0 1.0 OD2 A:ASP87 1.8 72.8 1.0 OD1 A:ASP100 2.3 70.7 1.0 O A:TYR101 2.4 70.6 1.0 CE1 A:HIS48 2.8 70.0 1.0 CD2 A:HIS48 2.9 70.0 1.0 P F:DG32 3.0 64.3 1.0 CG A:ASP87 3.1 72.8 1.0 N A:TYR101 3.2 70.6 1.0 C A:TYR101 3.3 70.6 1.0 CG A:ASP100 3.5 70.7 1.0 CA A:TYR101 3.5 70.6 1.0 CB A:TYR101 3.7 70.6 1.0 OD1 A:ASP87 3.7 72.8 1.0 OP2 F:DG32 3.9 64.3 1.0 O3' F:DT31 3.9 66.0 1.0 ND1 A:HIS48 3.9 70.0 1.0 CG A:HIS48 4.0 70.0 1.0 O5' F:DG32 4.0 64.3 1.0 C A:ASP100 4.1 70.7 1.0 CB A:ASP87 4.2 72.8 1.0 OD2 A:ASP100 4.2 70.7 1.0 C5' F:DG32 4.4 64.3 1.0 CA A:ASP100 4.5 70.7 1.0 N A:LYS102 4.5 68.7 1.0 CB A:ASP100 4.6 70.7 1.0 CG A:TYR101 4.9 70.6 1.0

C.Hu, C.Almendros, K.H.Nam, A.R.Costa, J.N.A.Vink, A.C.Haagsma, S.R.Bagde, S.J.J.Brouns, A.Ke. Mechanism For CAS4-Assisted Directional Spacer Acquisition in Crispr-Cas. Nature V. 598 515 2021.
ISSN: ESSN 1476-4687
PubMed: 34588691
DOI: 10.1038/S41586-021-03951-Z