Iron in PDB 9iac: Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1)

The structure of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1), PDB code: 9iac was solved by P.Bobadilla Ugarte, S.Halter, M.Jinek, D.C.Swarts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.23 / 2.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.858, 77.872, 110.453, 90, 90, 90
R / Rfree (%)	26.1 / 29.5

The structure of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Iron atom in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) (pdb code 9iac). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1), PDB code: 9iac:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:76.2 occ:1.00 FE1 A:SF4301 0.0 76.2 1.0 SG A:CYS269 2.2 55.1 1.0 S4 A:SF4301 2.3 55.4 1.0 S2 A:SF4301 2.3 74.5 1.0 S3 A:SF4301 2.3 62.5 1.0 FE2 A:SF4301 2.7 81.0 1.0 FE4 A:SF4301 2.7 58.5 1.0 FE3 A:SF4301 2.7 80.0 1.0 CB A:CYS269 2.9 53.9 1.0 S1 A:SF4301 3.9 56.7 1.0 N A:ALA272 4.4 56.9 1.0 CA A:CYS269 4.4 56.0 1.0 CA A:ALA272 4.5 68.9 1.0 SG A:CYS33 4.6 54.6 1.0 SG A:CYS260 4.6 104.7 1.0 C A:TYR271 4.7 54.0 1.0 CB A:ALA272 4.7 60.0 1.0 SG A:CYS263 4.8 69.5 1.0 C A:CYS269 5.0 60.8 1.0 CB A:THR35 5.0 45.5 1.0 O A:TYR271 5.0 55.6 1.0

Iron binding site 2 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:81.0 occ:1.00 FE2 A:SF4301 0.0 81.0 1.0 SG A:CYS33 2.2 54.6 1.0 S1 A:SF4301 2.3 56.7 1.0 S3 A:SF4301 2.3 62.5 1.0 S4 A:SF4301 2.3 55.4 1.0 FE1 A:SF4301 2.7 76.2 1.0 FE4 A:SF4301 2.7 58.5 1.0 FE3 A:SF4301 2.7 80.0 1.0 CB A:CYS33 3.1 50.0 1.0 S2 A:SF4301 3.9 74.5 1.0 CB A:THR35 4.3 45.5 1.0 N A:LYS36 4.3 52.1 1.0 O A:GLN255 4.4 64.6 1.0 SG A:CYS260 4.5 104.7 1.0 CA A:CYS33 4.5 55.5 1.0 SG A:CYS269 4.6 55.1 1.0 SG A:CYS263 4.7 69.5 1.0 OG1 A:THR35 4.7 56.0 1.0 CB A:LYS36 4.7 57.4 1.0 C A:THR35 4.9 55.2 1.0 N A:GLN255 4.9 49.8 1.0 C A:CYS33 4.9 55.8 1.0 CA A:LYS36 5.0 57.7 1.0 O A:CYS33 5.0 49.5 1.0 CA A:THR35 5.0 49.8 1.0

Iron binding site 3 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:80.0 occ:1.00 FE3 A:SF4301 0.0 80.0 1.0 SG A:CYS260 2.2 104.7 1.0 S2 A:SF4301 2.3 74.5 1.0 S4 A:SF4301 2.3 55.4 1.0 S1 A:SF4301 2.3 56.7 1.0 FE4 A:SF4301 2.7 58.5 1.0 FE1 A:SF4301 2.7 76.2 1.0 FE2 A:SF4301 2.7 81.0 1.0 CB A:CYS260 2.8 77.5 1.0 CA A:CYS260 3.4 73.2 1.0 S3 A:SF4301 3.9 62.5 1.0 N A:CYS260 4.3 74.7 1.0 O A:GLN255 4.4 64.6 1.0 CB A:CYS263 4.4 66.7 1.0 C A:CYS260 4.6 83.2 1.0 CA A:ALA272 4.6 68.9 1.0 O A:CYS260 4.6 88.3 1.0 SG A:CYS33 4.6 54.6 1.0 SG A:CYS269 4.8 55.1 1.0 CA A:SER256 4.8 61.4 1.0 SG A:CYS263 4.9 69.5 1.0

Iron binding site 4 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:58.5 occ:1.00 FE4 A:SF4301 0.0 58.5 1.0 S3 A:SF4301 2.3 62.5 1.0 S2 A:SF4301 2.3 74.5 1.0 S1 A:SF4301 2.3 56.7 1.0 SG A:CYS263 2.3 69.5 1.0 CB A:CYS263 2.7 66.7 1.0 FE2 A:SF4301 2.7 81.0 1.0 FE3 A:SF4301 2.7 80.0 1.0 FE1 A:SF4301 2.7 76.2 1.0 S4 A:SF4301 3.9 55.4 1.0 CA A:CYS263 4.2 69.8 1.0 CB A:CYS269 4.7 53.9 1.0 SG A:CYS269 4.7 55.1 1.0 CB A:PHE265 4.8 63.2 1.0 SG A:CYS260 4.8 104.7 1.0 SG A:CYS33 4.8 54.6 1.0 CD2 A:PHE265 4.9 54.2 1.0 CB A:CYS260 4.9 77.5 1.0 CA A:CYS260 4.9 73.2 1.0 CB A:LYS36 4.9 57.4 1.0 N A:THR266 4.9 60.6 1.0 C A:PHE265 5.0 60.9 1.0 N A:CYS263 5.0 72.1 1.0 C A:CYS263 5.0 65.6 1.0

Iron binding site 5 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:88.7 occ:1.00 FE1 B:SF4301 0.0 88.7 1.0 SG B:CYS260 2.2 176.2 1.0 S2 B:SF4301 2.3 81.6 1.0 S4 B:SF4301 2.3 80.8 1.0 S3 B:SF4301 2.3 61.2 1.0 FE3 B:SF4301 2.7 89.5 1.0 FE4 B:SF4301 2.7 91.5 1.0 FE2 B:SF4301 2.7 84.5 1.0 CB B:CYS260 3.4 101.9 1.0 CA B:CYS260 3.7 100.1 1.0 S1 B:SF4301 3.9 67.1 1.0 N B:CYS260 4.2 99.2 1.0 CA B:SER256 4.4 76.0 1.0 CA B:ALA272 4.4 78.3 1.0 SG B:CYS263 4.6 163.8 1.0 CB B:CYS263 4.6 92.5 1.0 CB B:SER256 4.7 69.5 1.0 CG1 B:VAL259 4.7 95.7 1.0 CB B:ALA272 4.7 72.5 1.0 SG B:CYS33 4.8 62.8 1.0 O B:GLN255 4.8 68.7 1.0 N B:ASN273 4.8 88.8 1.0 SG B:CYS269 4.8 98.0 1.0 N B:GLY257 4.9 89.8 1.0

Iron binding site 6 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:84.5 occ:1.00 FE2 B:SF4301 0.0 84.5 1.0 SG B:CYS269 2.3 98.0 1.0 S3 B:SF4301 2.3 61.2 1.0 S1 B:SF4301 2.3 67.1 1.0 S4 B:SF4301 2.3 80.8 1.0 FE4 B:SF4301 2.7 91.5 1.0 FE3 B:SF4301 2.7 89.5 1.0 FE1 B:SF4301 2.7 88.7 1.0 CB B:CYS269 3.0 61.0 1.0 S2 B:SF4301 3.9 81.6 1.0 CA B:ALA272 4.2 78.3 1.0 CB B:ALA272 4.3 72.5 1.0 N B:ALA272 4.3 61.9 1.0 CA B:CYS269 4.5 64.1 1.0 SG B:CYS260 4.7 176.2 1.0 SG B:CYS33 4.7 62.8 1.0 C B:TYR271 4.7 68.4 1.0 SG B:CYS263 4.8 163.8 1.0 CG2 B:THR35 5.0 55.8 1.0 CB B:THR35 5.0 52.4 1.0

Iron binding site 7 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:89.5 occ:1.00 FE3 B:SF4301 0.0 89.5 1.0 SG B:CYS263 2.2 163.8 1.0 S4 B:SF4301 2.3 80.8 1.0 S2 B:SF4301 2.3 81.6 1.0 S1 B:SF4301 2.3 67.1 1.0 FE4 B:SF4301 2.7 91.5 1.0 FE1 B:SF4301 2.7 88.7 1.0 FE2 B:SF4301 2.7 84.5 1.0 CB B:CYS263 3.1 92.5 1.0 S3 B:SF4301 3.9 61.2 1.0 CA B:CYS263 4.5 90.7 1.0 SG B:CYS260 4.6 176.2 1.0 CG B:LYS36 4.6 68.9 1.0 CA B:CYS260 4.7 100.1 1.0 CB B:CYS269 4.7 61.0 1.0 CD B:LYS36 4.8 65.9 1.0 SG B:CYS269 4.8 98.0 1.0 CB B:LYS36 4.8 66.8 1.0 SG B:CYS33 4.8 62.8 1.0 CB B:PHE265 4.8 72.4 1.0 C B:PHE265 4.8 71.1 1.0 N B:THR266 4.9 75.8 1.0 O B:PHE265 5.0 80.0 1.0

Iron binding site 8 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Microcystis Aeruginosa (MAACE1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:91.5 occ:1.00 FE4 B:SF4301 0.0 91.5 1.0 SG B:CYS33 2.3 62.8 1.0 S1 B:SF4301 2.3 67.1 1.0 S3 B:SF4301 2.3 61.2 1.0 S2 B:SF4301 2.3 81.6 1.0 FE3 B:SF4301 2.7 89.5 1.0 FE1 B:SF4301 2.7 88.7 1.0 FE2 B:SF4301 2.7 84.5 1.0 CB B:CYS33 3.2 56.6 1.0 S4 B:SF4301 3.9 80.8 1.0 CB B:THR35 4.2 52.4 1.0 N B:LYS36 4.3 52.0 1.0 SG B:CYS263 4.6 163.8 1.0 CA B:CYS33 4.6 64.2 1.0 SG B:CYS269 4.6 98.0 1.0 CB B:LYS36 4.6 66.8 1.0 O B:GLN255 4.7 68.7 1.0 C B:THR35 4.8 56.8 1.0 OG1 B:THR35 4.8 59.4 1.0 SG B:CYS260 4.8 176.2 1.0 CA B:LYS36 4.9 65.2 1.0 CA B:THR35 4.9 55.6 1.0 N B:GLN255 4.9 52.2 1.0 CG2 B:THR35 4.9 55.8 1.0

P.Bobadilla Ugarte, S.Halter, S.K.Mutte, C.Heijstek, T.Niault, I.Terenin, P.Barendse, B.Koopal, M.Roosjen, S.Boeren, V.Hauryliuk, M.Jinek, A.H.Westphal, D.C.Swarts. Cyanobacterial Argonautes and CAS4 Family Nucleases Cooperate to Interfere with Invading Dna To Be Published.