Iron in PDB 7mi5: Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex

All present enzymatic activity of Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex:
3.1.12.1;

The structure of Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex also contains other interesting chemical elements:

Manganese

(Mn)

6 atoms

The binding sites of Iron atom in the Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex (pdb code 7mi5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex, PDB code: 7mi5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:130.7 occ:1.00 FE1 A:SF4601 0.0 130.7 1.0 SG A:CYS22 1.9 121.4 1.0 S3 A:SF4601 2.3 130.7 1.0 S4 A:SF4601 2.3 130.7 1.0 S2 A:SF4601 2.3 130.7 1.0 FE4 A:SF4601 2.7 130.7 1.0 FE2 A:SF4601 2.7 130.7 1.0 FE3 A:SF4601 2.7 130.7 1.0 CB A:CYS22 2.8 121.4 1.0 CB A:LEU25 2.9 115.7 1.0 CD1 A:LEU25 3.3 115.7 1.0 N A:LEU25 3.5 115.7 1.0 CA A:LEU25 3.6 115.7 1.0 CG A:LEU25 3.7 115.7 1.0 S1 A:SF4601 3.9 130.7 1.0 CA A:CYS22 4.3 121.4 1.0 O A:CYS22 4.4 121.4 1.0 CB A:CYS190 4.4 122.5 1.0 C A:CYS22 4.6 121.4 1.0 C A:ARG24 4.6 110.8 1.0 CD1 A:LEU181 4.7 116.8 1.0 CB A:ARG24 4.7 110.8 1.0 SG A:CYS196 4.8 115.8 1.0 SG A:CYS187 4.8 110.2 1.0 SG A:CYS190 4.8 122.5 1.0 CG A:LEU181 4.9 116.8 1.0

Iron binding site 2 out of 4 in the Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:130.7 occ:1.00 FE2 A:SF4601 0.0 130.7 1.0 SG A:CYS196 2.2 115.8 1.0 S4 A:SF4601 2.3 130.7 1.0 S1 A:SF4601 2.3 130.7 1.0 S3 A:SF4601 2.3 130.7 1.0 FE4 A:SF4601 2.7 130.7 1.0 FE1 A:SF4601 2.7 130.7 1.0 FE3 A:SF4601 2.7 130.7 1.0 CB A:CYS196 3.1 115.8 1.0 SG A:CYS187 3.7 110.2 1.0 SG A:CYS22 3.8 121.4 1.0 S2 A:SF4601 3.9 130.7 1.0 CD A:ARG24 4.1 110.8 1.0 NE A:ARG24 4.2 110.8 1.0 CB A:PRO198 4.5 130.8 1.0 CA A:CYS196 4.5 115.8 1.0 SG A:CYS190 4.6 122.5 1.0 CG A:ARG24 4.6 110.8 1.0 CB A:PRO180 4.6 98.9 1.0 CB A:ARG24 4.7 110.8 1.0 CA A:PRO180 4.8 98.9 1.0 CG A:PRO198 4.9 130.8 1.0 CB A:CYS187 4.9 110.2 1.0 N A:LEU25 4.9 115.7 1.0

Iron binding site 3 out of 4 in the Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:130.7 occ:1.00 FE3 A:SF4601 0.0 130.7 1.0 SG A:CYS190 2.2 122.5 1.0 S1 A:SF4601 2.3 130.7 1.0 S2 A:SF4601 2.3 130.7 1.0 S4 A:SF4601 2.3 130.7 1.0 CB A:CYS190 2.4 122.5 1.0 FE4 A:SF4601 2.7 130.7 1.0 FE2 A:SF4601 2.7 130.7 1.0 FE1 A:SF4601 2.7 130.7 1.0 SG A:CYS187 3.7 110.2 1.0 CA A:CYS187 3.7 110.2 1.0 S3 A:SF4601 3.9 130.7 1.0 CD1 A:LEU25 3.9 115.7 1.0 CB A:CYS187 4.0 110.2 1.0 CA A:CYS190 4.0 122.5 1.0 O A:CYS187 4.1 110.2 1.0 CB A:CYS196 4.2 115.8 1.0 SG A:CYS196 4.4 115.8 1.0 C A:CYS187 4.5 110.2 1.0 N A:VAL193 4.5 113.7 1.0 SG A:CYS22 4.5 121.4 1.0 N A:CYS190 4.6 122.5 1.0 C A:CYS190 4.7 122.5 1.0 N A:CYS187 4.7 110.2 1.0 O A:CYS190 4.8 122.5 1.0 CG A:LEU25 4.9 115.7 1.0 CB A:LEU25 4.9 115.7 1.0 CA A:VAL193 4.9 113.7 1.0 C A:LEU192 4.9 112.8 1.0

Iron binding site 4 out of 4 in the Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Asymmetrical Pam-Non Pam Prespacer Bound CAS4/CAS1/CAS2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:130.7 occ:1.00 FE4 A:SF4601 0.0 130.7 1.0 SG A:CYS187 2.2 110.2 1.0 S2 A:SF4601 2.3 130.7 1.0 S1 A:SF4601 2.3 130.7 1.0 S3 A:SF4601 2.3 130.7 1.0 FE1 A:SF4601 2.7 130.7 1.0 FE2 A:SF4601 2.7 130.7 1.0 FE3 A:SF4601 2.7 130.7 1.0 CD1 A:LEU181 2.9 116.8 1.0 CG A:LEU181 3.3 116.8 1.0 SG A:CYS22 3.3 121.4 1.0 CB A:CYS187 3.4 110.2 1.0 CA A:CYS187 3.6 110.2 1.0 S4 A:SF4601 3.9 130.7 1.0 N A:CYS187 4.0 110.2 1.0 CB A:LEU181 4.0 116.8 1.0 CB A:CYS22 4.2 121.4 1.0 N A:LEU181 4.3 116.8 1.0 CD2 A:LEU181 4.5 116.8 1.0 CB A:CYS190 4.6 122.5 1.0 C A:LYS186 4.8 111.0 1.0 SG A:CYS196 4.8 115.8 1.0 SG A:CYS190 4.8 122.5 1.0 CA A:LEU181 4.9 116.8 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