Iron 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:

Manganese

(Mn)

5 atoms

The binding sites of Iron 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 Iron atom.
In total 4 binding sites of Iron where determined in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna, PDB code: 7mid:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe 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:Fe601 b:56.5 occ:1.00 FE1 A:SF4601 0.0 56.5 1.0 S3 A:SF4601 2.3 56.5 1.0 S2 A:SF4601 2.3 56.5 1.0 S4 A:SF4601 2.3 56.5 1.0 SG A:CYS22 2.3 50.2 1.0 FE3 A:SF4601 2.7 56.5 1.0 FE4 A:SF4601 2.7 56.5 1.0 FE2 A:SF4601 2.7 56.5 1.0 CB A:CYS22 3.3 50.2 1.0 CB A:LEU25 3.5 45.5 1.0 N A:LEU25 3.6 45.5 1.0 S1 A:SF4601 3.9 56.5 1.0 CA A:LEU25 3.9 45.5 1.0 SG A:CYS196 4.2 54.7 1.0 SG A:CYS190 4.4 55.0 1.0 CG A:LEU25 4.4 45.5 1.0 CB A:ARG24 4.5 49.2 1.0 C A:ARG24 4.5 49.2 1.0 CD1 A:LEU25 4.5 45.5 1.0 CA A:CYS22 4.7 50.2 1.0 CD2 A:LEU25 4.7 45.5 1.0 O A:CYS22 4.7 50.2 1.0 SG A:CYS187 4.7 56.9 1.0 CB A:CYS190 4.8 55.0 1.0 CA A:ARG24 4.9 49.2 1.0 C A:CYS22 4.9 50.2 1.0 CB A:CYS196 5.0 54.7 1.0

Iron binding site 2 out of 4 in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe 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 A:Fe601 b:56.5 occ:1.00 FE2 A:SF4601 0.0 56.5 1.0 S4 A:SF4601 2.3 56.5 1.0 SG A:CYS196 2.3 54.7 1.0 S1 A:SF4601 2.3 56.5 1.0 S3 A:SF4601 2.3 56.5 1.0 FE3 A:SF4601 2.7 56.5 1.0 FE1 A:SF4601 2.7 56.5 1.0 FE4 A:SF4601 2.7 56.5 1.0 CB A:CYS196 3.3 54.7 1.0 SG A:CYS187 3.6 56.9 1.0 S2 A:SF4601 3.9 56.5 1.0 SG A:CYS22 4.0 50.2 1.0 CB A:PRO198 4.2 60.7 1.0 CB A:PRO180 4.3 53.1 1.0 CD A:ARG24 4.4 49.2 1.0 NE A:ARG24 4.4 49.2 1.0 CA A:PRO180 4.5 53.1 1.0 N A:LEU181 4.7 57.8 1.0 CB A:ARG24 4.8 49.2 1.0 CA A:CYS196 4.8 54.7 1.0 CG A:PRO198 4.8 60.7 1.0 CG A:ARG24 4.8 49.2 1.0 CB A:CYS187 4.9 56.9 1.0 SG A:CYS190 4.9 55.0 1.0 CA A:PRO198 4.9 60.7 1.0

Iron binding site 3 out of 4 in the Sub-Complex of CAS4-CAS1-CAS2 Bound Pam Containing Dna


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe 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 A:Fe601 b:56.5 occ:1.00 FE3 A:SF4601 0.0 56.5 1.0 SG A:CYS190 2.2 55.0 1.0 S1 A:SF4601 2.3 56.5 1.0 S4 A:SF4601 2.3 56.5 1.0 S2 A:SF4601 2.3 56.5 1.0 FE2 A:SF4601 2.7 56.5 1.0 FE4 A:SF4601 2.7 56.5 1.0 FE1 A:SF4601 2.7 56.5 1.0 CB A:CYS190 3.2 55.0 1.0 SG A:CYS187 3.8 56.9 1.0 S3 A:SF4601 3.9 56.5 1.0 CB A:CYS196 4.0 54.7 1.0 SG A:CYS196 4.1 54.7 1.0 CA A:CYS187 4.1 56.9 1.0 CB A:CYS187 4.2 56.9 1.0 O A:CYS187 4.4 56.9 1.0 N A:VAL193 4.5 52.7 1.0 CA A:VAL193 4.6 52.7 1.0 CA A:CYS190 4.6 55.0 1.0 SG A:CYS22 4.8 50.2 1.0 C A:CYS187 4.8 56.9 1.0 C A:LEU192 4.8 48.8 1.0 CB A:VAL193 4.9 52.7 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe 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 A:Fe601 b:56.5 occ:1.00 FE4 A:SF4601 0.0 56.5 1.0 SG A:CYS187 2.1 56.9 1.0 S2 A:SF4601 2.3 56.5 1.0 S1 A:SF4601 2.3 56.5 1.0 S3 A:SF4601 2.3 56.5 1.0 FE3 A:SF4601 2.7 56.5 1.0 FE1 A:SF4601 2.7 56.5 1.0 FE2 A:SF4601 2.7 56.5 1.0 SG A:CYS22 3.4 50.2 1.0 CB A:CYS187 3.5 56.9 1.0 CA A:CYS187 3.7 56.9 1.0 S4 A:SF4601 3.9 56.5 1.0 CG A:LEU181 3.9 57.8 1.0 N A:CYS187 4.1 56.9 1.0 CB A:LEU181 4.2 57.8 1.0 CB A:CYS22 4.3 50.2 1.0 CD1 A:LEU181 4.3 57.8 1.0 SG A:CYS190 4.6 55.0 1.0 N A:LEU181 4.7 57.8 1.0 CB A:CYS190 4.8 55.0 1.0 C A:LYS186 4.9 56.9 1.0 CB A:LYS186 4.9 56.9 1.0 SG A:CYS196 5.0 54.7 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