Iron in PDB 9iab: Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1)

The structure of Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1), PDB code: 9iab 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)	43.02 / 1.57
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.91, 44.95, 74.06, 100.17, 92.22, 105.87
R / Rfree (%)	18.6 / 19.9

The binding sites of Iron atom in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1) (pdb code 9iab). 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 Chroococcidiopsis Thermalis (CTACE1), PDB code: 9iab:
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 Chroococcidiopsis Thermalis (CTACE1)


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 Chroococcidiopsis Thermalis (CTACE1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:30.8 occ:1.00 FE1 A:SF4301 0.0 30.8 1.0 S2 A:SF4301 2.3 32.8 1.0 S4 A:SF4301 2.3 35.1 1.0 S3 A:SF4301 2.3 28.2 1.0 SG A:CYS27 2.4 31.8 1.0 FE2 A:SF4301 2.7 33.0 1.0 FE3 A:SF4301 2.7 36.5 1.0 FE4 A:SF4301 2.7 32.1 1.0 HB3 A:MET29 3.2 32.0 1.0 CB A:CYS27 3.3 32.3 1.0 HB3 A:CYS27 3.4 38.7 1.0 HB2 A:CYS27 3.4 38.7 1.0 H A:ASN249 3.6 34.9 1.0 H A:LYS30 3.7 33.8 1.0 HB2 A:LYS30 3.8 37.2 1.0 S1 A:SF4301 3.9 35.8 1.0 HA A:PRO248 4.1 37.3 1.0 N A:LYS30 4.2 28.1 1.0 CB A:MET29 4.2 26.6 1.0 N A:ASN249 4.4 29.1 1.0 HG2 A:MET29 4.4 31.2 1.0 HA A:PRO250 4.6 40.5 1.0 HA A:LYS30 4.6 31.1 1.0 HB2 A:SER253 4.6 53.6 1.0 CB A:LYS30 4.6 31.0 1.0 H A:MET29 4.7 29.9 1.0 SG A:CYS257 4.7 33.0 1.0 HB2 A:MET29 4.7 32.0 1.0 HB3 A:SER253 4.7 53.6 1.0 CA A:LYS30 4.7 25.9 1.0 CA A:CYS27 4.8 33.3 1.0 C A:MET29 4.8 25.2 1.0 CG A:MET29 4.8 25.9 1.0 SG A:CYS254 4.8 38.9 1.0 HB3 A:PRO248 4.8 35.8 1.0 CA A:PRO248 4.8 31.0 1.0 O A:ASN249 4.9 39.7 1.0 C A:ASN249 4.9 35.2 1.0 HB2 A:PRO248 4.9 35.8 1.0 SG A:CYS263 4.9 31.9 1.0 CA A:MET29 4.9 24.1 1.0 HA A:CYS254 5.0 46.2 1.0

Iron binding site 2 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1)


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 Chroococcidiopsis Thermalis (CTACE1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:33.0 occ:1.00 FE2 A:SF4301 0.0 33.0 1.0 S3 A:SF4301 2.3 28.2 1.0 SG A:CYS257 2.3 33.0 1.0 S1 A:SF4301 2.3 35.8 1.0 S4 A:SF4301 2.3 35.1 1.0 FE1 A:SF4301 2.7 30.8 1.0 FE4 A:SF4301 2.7 32.1 1.0 FE3 A:SF4301 2.8 36.5 1.0 HB3 A:CYS257 3.1 43.8 1.0 CB A:CYS257 3.1 36.5 1.0 HB2 A:CYS257 3.2 43.8 1.0 HA A:CYS254 3.8 46.2 1.0 HB2 A:PHE259 3.9 39.0 1.0 S2 A:SF4301 3.9 32.8 1.0 HB2 A:LYS30 3.9 37.2 1.0 HD2 A:PHE259 4.0 31.9 1.0 HG3 A:LYS30 4.2 47.0 1.0 H A:PHE259 4.3 38.5 1.0 HA A:LYS30 4.4 31.1 1.0 HE2 A:LYS30 4.4 64.5 1.0 HB2 A:CYS263 4.4 44.1 1.0 CA A:CYS257 4.6 39.5 1.0 HA A:ASN260 4.6 50.0 1.0 CB A:LYS30 4.7 31.0 1.0 HB3 A:CYS263 4.7 44.1 1.0 CA A:CYS254 4.7 38.4 1.0 SG A:CYS254 4.8 38.9 1.0 CB A:PHE259 4.8 32.4 1.0 HB3 A:CYS27 4.8 38.7 1.0 SG A:CYS27 4.8 31.8 1.0 HE3 A:LYS30 4.8 64.5 1.0 C A:PHE259 4.9 35.6 1.0 HA A:CYS257 4.9 47.5 1.0 CB A:CYS263 4.9 36.7 1.0 N A:ASN260 4.9 43.1 1.0 CA A:LYS30 4.9 25.9 1.0 CD2 A:PHE259 4.9 26.5 1.0 SG A:CYS263 4.9 31.9 1.0 CG A:LYS30 4.9 39.1 1.0 HB3 A:CYS254 5.0 51.1 1.0 HD2 A:PHE33 5.0 31.3 1.0

Iron binding site 3 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1)


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 Chroococcidiopsis Thermalis (CTACE1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:36.5 occ:1.00 FE3 A:SF4301 0.0 36.5 1.0 SG A:CYS254 2.2 38.9 1.0 S4 A:SF4301 2.3 35.1 1.0 S2 A:SF4301 2.3 32.8 1.0 S1 A:SF4301 2.3 35.8 1.0 FE1 A:SF4301 2.7 30.8 1.0 FE4 A:SF4301 2.7 32.1 1.0 FE2 A:SF4301 2.8 33.0 1.0 HA A:CYS254 3.1 46.2 1.0 CB A:CYS254 3.3 42.5 1.0 HA A:PRO250 3.3 40.5 1.0 HA A:ALA266 3.5 48.6 1.0 HB3 A:CYS254 3.5 51.1 1.0 CA A:CYS254 3.6 38.4 1.0 S3 A:SF4301 3.9 28.2 1.0 N A:CYS254 4.0 38.9 1.0 HB3 A:PRO250 4.1 50.0 1.0 H A:CYS254 4.1 46.7 1.0 HB2 A:CYS254 4.2 51.1 1.0 CA A:PRO250 4.2 33.9 1.0 HB2 A:SER253 4.3 53.6 1.0 HB3 A:CYS257 4.4 43.8 1.0 H A:MET267 4.4 55.1 1.0 CA A:ALA266 4.4 40.5 1.0 H A:GLY251 4.5 45.9 1.0 HB2 A:CYS257 4.5 43.8 1.0 C A:SER253 4.7 39.7 1.0 CB A:PRO250 4.7 41.6 1.0 HB2 A:ALA266 4.7 54.5 1.0 CB A:CYS257 4.8 36.5 1.0 SG A:CYS257 4.8 33.0 1.0 SG A:CYS27 4.9 31.8 1.0 N A:PRO250 4.9 33.5 1.0 O A:ASN249 4.9 39.7 1.0 HB3 A:SER253 4.9 53.6 1.0 SG A:CYS263 4.9 31.9 1.0 HB3 A:CYS263 4.9 44.1 1.0 C A:CYS254 5.0 45.2 1.0 N A:ALA266 5.0 40.0 1.0 CB A:SER253 5.0 44.6 1.0

Iron binding site 4 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1)


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 Chroococcidiopsis Thermalis (CTACE1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:32.1 occ:1.00 FE4 A:SF4301 0.0 32.1 1.0 S2 A:SF4301 2.3 32.8 1.0 S1 A:SF4301 2.3 35.8 1.0 S3 A:SF4301 2.3 28.2 1.0 SG A:CYS263 2.4 31.9 1.0 FE2 A:SF4301 2.7 33.0 1.0 FE1 A:SF4301 2.7 30.8 1.0 FE3 A:SF4301 2.7 36.5 1.0 HB3 A:CYS263 3.1 44.1 1.0 HB2 A:CYS263 3.1 44.1 1.0 CB A:CYS263 3.1 36.7 1.0 S4 A:SF4301 3.9 35.1 1.0 HA A:ALA266 4.0 48.6 1.0 HB2 A:PHE265 4.0 37.5 1.0 HE2 A:PHE33 4.0 33.9 1.0 HG2 A:MET29 4.1 31.2 1.0 HB3 A:MET29 4.2 32.0 1.0 HB2 A:ALA266 4.3 54.5 1.0 H A:PHE265 4.4 43.6 1.0 N A:ALA266 4.4 40.0 1.0 H A:ALA266 4.5 48.0 1.0 SD A:MET29 4.5 29.3 1.0 CA A:ALA266 4.6 40.5 1.0 CA A:CYS263 4.6 39.4 1.0 CG A:MET29 4.6 25.9 1.0 HB2 A:PHE259 4.7 39.0 1.0 C A:PHE265 4.7 40.8 1.0 HA A:ASN260 4.7 50.0 1.0 SG A:CYS254 4.7 38.9 1.0 HB3 A:PRO248 4.8 35.8 1.0 SG A:CYS257 4.8 33.0 1.0 CE2 A:PHE33 4.9 28.2 1.0 SG A:CYS27 4.9 31.8 1.0 CB A:PHE265 4.9 31.2 1.0 HA A:CYS263 4.9 47.4 1.0 CB A:MET29 4.9 26.6 1.0 CB A:ALA266 4.9 45.4 1.0 HD2 A:PHE33 4.9 31.3 1.0

Iron binding site 5 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1)


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 Chroococcidiopsis Thermalis (CTACE1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:31.0 occ:1.00 FE1 B:SF4301 0.0 31.0 1.0 S4 B:SF4301 2.3 34.9 1.0 S3 B:SF4301 2.3 30.9 1.0 S2 B:SF4301 2.3 32.3 1.0 SG B:CYS27 2.3 32.8 1.0 FE2 B:SF4301 2.7 33.8 1.0 FE3 B:SF4301 2.7 34.7 1.0 FE4 B:SF4301 2.7 31.6 1.0 CB B:CYS27 3.3 37.6 1.0 HB3 B:MET29 3.3 34.2 1.0 HB3 B:CYS27 3.3 45.2 1.0 HB2 B:CYS27 3.4 45.2 1.0 H B:ASN249 3.6 41.2 1.0 HB2 B:LYS30 3.7 40.2 1.0 H B:LYS30 3.7 34.4 1.0 S1 B:SF4301 3.9 34.5 1.0 HA B:PRO248 4.1 37.0 1.0 N B:LYS30 4.2 28.6 1.0 CB B:MET29 4.3 28.5 1.0 N B:ASN249 4.4 34.3 1.0 HG2 B:MET29 4.4 33.1 1.0 HA B:PRO250 4.5 45.4 1.0 CB B:LYS30 4.6 33.5 1.0 HB2 B:SER253 4.6 56.7 1.0 HA B:LYS30 4.7 33.4 1.0 H B:MET29 4.7 32.8 1.0 CA B:CYS27 4.7 40.4 1.0 SG B:CYS257 4.7 36.3 1.0 HE3 B:LYS30 4.7 66.2 1.0 HB3 B:SER253 4.8 56.7 1.0 HB2 B:MET29 4.8 34.2 1.0 CA B:LYS30 4.8 27.9 1.0 C B:MET29 4.8 25.8 1.0 SG B:CYS254 4.8 39.2 1.0 O B:ASN249 4.8 39.0 1.0 CG B:MET29 4.8 27.5 1.0 SG B:CYS263 4.8 33.1 1.0 C B:ASN249 4.8 41.1 1.0 HB3 B:PRO248 4.9 38.7 1.0 CA B:PRO248 4.9 30.8 1.0 HB2 B:PRO248 4.9 38.7 1.0 CA B:MET29 5.0 28.0 1.0 HB3 B:LYS30 5.0 40.2 1.0 HA B:CYS254 5.0 53.4 1.0 HA B:CYS27 5.0 48.5 1.0

Iron binding site 6 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1)


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 Chroococcidiopsis Thermalis (CTACE1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:33.8 occ:1.00 FE2 B:SF4301 0.0 33.8 1.0 S3 B:SF4301 2.3 30.9 1.0 SG B:CYS257 2.3 36.3 1.0 S1 B:SF4301 2.3 34.5 1.0 S4 B:SF4301 2.3 34.9 1.0 FE1 B:SF4301 2.7 31.0 1.0 FE4 B:SF4301 2.7 31.6 1.0 FE3 B:SF4301 2.8 34.7 1.0 CB B:CYS257 3.2 37.1 1.0 HB3 B:CYS257 3.2 44.6 1.0 HB2 B:CYS257 3.2 44.6 1.0 HB2 B:LYS30 3.7 40.2 1.0 HB2 B:PHE259 3.7 34.3 1.0 HA B:CYS254 3.8 53.4 1.0 S2 B:SF4301 3.9 32.3 1.0 HE2 B:LYS30 4.0 66.2 1.0 HD2 B:PHE259 4.0 31.2 1.0 HE3 B:LYS30 4.2 66.2 1.0 H B:PHE259 4.3 44.7 1.0 OD1 B:ASN260 4.3 64.9 1.0 HG3 B:LYS30 4.4 44.2 1.0 HB2 B:CYS263 4.4 42.2 1.0 HA B:LYS30 4.4 33.4 1.0 CB B:LYS30 4.6 33.5 1.0 CE B:LYS30 4.6 55.2 1.0 CA B:CYS257 4.6 43.1 1.0 CB B:PHE259 4.7 28.6 1.0 CA B:CYS254 4.7 44.4 1.0 HA B:ASN260 4.7 52.8 1.0 HB3 B:CYS263 4.7 42.2 1.0 SG B:CYS27 4.7 32.8 1.0 HB3 B:CYS27 4.8 45.2 1.0 SG B:CYS254 4.8 39.2 1.0 C B:PHE259 4.8 36.7 1.0 SG B:CYS263 4.9 33.1 1.0 HD2 B:PHE33 4.9 32.2 1.0 CB B:CYS263 4.9 35.1 1.0 CD2 B:PHE259 4.9 26.0 1.0 CA B:LYS30 4.9 27.9 1.0 HA B:CYS257 4.9 51.8 1.0 CG B:LYS30 4.9 36.9 1.0 HB3 B:CYS254 5.0 49.4 1.0 H B:LYS30 5.0 34.4 1.0 N B:PHE259 5.0 37.2 1.0

Iron binding site 7 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1)


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 Chroococcidiopsis Thermalis (CTACE1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:34.7 occ:1.00 FE3 B:SF4301 0.0 34.7 1.0 S2 B:SF4301 2.3 32.3 1.0 SG B:CYS254 2.3 39.2 1.0 S1 B:SF4301 2.3 34.5 1.0 S4 B:SF4301 2.3 34.9 1.0 FE1 B:SF4301 2.7 31.0 1.0 FE4 B:SF4301 2.7 31.6 1.0 FE2 B:SF4301 2.8 33.8 1.0 HA B:CYS254 3.1 53.4 1.0 HA B:PRO250 3.3 45.4 1.0 CB B:CYS254 3.3 41.1 1.0 HA B:ALA266 3.5 48.9 1.0 HB3 B:CYS254 3.5 49.4 1.0 CA B:CYS254 3.6 44.4 1.0 S3 B:SF4301 3.9 30.9 1.0 N B:CYS254 4.0 40.0 1.0 HB3 B:PRO250 4.0 52.5 1.0 H B:CYS254 4.2 48.0 1.0 HB2 B:CYS254 4.2 49.4 1.0 CA B:PRO250 4.2 37.8 1.0 HB2 B:SER253 4.3 56.7 1.0 H B:MET267 4.4 59.1 1.0 CA B:ALA266 4.4 40.7 1.0 H B:GLY251 4.5 49.1 1.0 HB3 B:CYS257 4.5 44.6 1.0 HB2 B:CYS257 4.6 44.6 1.0 CB B:PRO250 4.6 43.7 1.0 C B:SER253 4.6 39.5 1.0 HB2 B:ALA266 4.7 56.5 1.0 SG B:CYS257 4.8 36.3 1.0 SG B:CYS27 4.8 32.8 1.0 CB B:CYS257 4.8 37.1 1.0 SG B:CYS263 4.8 33.1 1.0 N B:PRO250 4.8 39.6 1.0 O B:ASN249 4.9 39.0 1.0 OD1 B:ASN260 4.9 64.9 1.0 HB3 B:SER253 4.9 56.7 1.0 HB3 B:CYS263 4.9 42.2 1.0 O B:PHE265 4.9 43.2 1.0 N B:ALA266 4.9 43.2 1.0 C B:CYS254 5.0 49.2 1.0 HB1 B:ALA266 5.0 56.5 1.0 CB B:ALA266 5.0 47.0 1.0 CB B:SER253 5.0 47.2 1.0

Iron binding site 8 out of 8 in the Structure of the Argonaute-Associated CAS4 Family Protein 1 (ACE1) From Chroococcidiopsis Thermalis (CTACE1)


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 Chroococcidiopsis Thermalis (CTACE1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:31.6 occ:1.00 FE4 B:SF4301 0.0 31.6 1.0 S2 B:SF4301 2.3 32.3 1.0 S1 B:SF4301 2.3 34.5 1.0 S3 B:SF4301 2.3 30.9 1.0 SG B:CYS263 2.4 33.1 1.0 FE1 B:SF4301 2.7 31.0 1.0 FE3 B:SF4301 2.7 34.7 1.0 FE2 B:SF4301 2.7 33.8 1.0 HB2 B:CYS263 3.1 42.2 1.0 CB B:CYS263 3.1 35.1 1.0 HB3 B:CYS263 3.1 42.2 1.0 S4 B:SF4301 3.9 34.9 1.0 HE2 B:PHE33 3.9 35.5 1.0 HA B:ALA266 3.9 48.9 1.0 HB2 B:PHE265 4.0 40.2 1.0 HG2 B:MET29 4.0 33.1 1.0 HB3 B:MET29 4.2 34.2 1.0 HB2 B:ALA266 4.2 56.5 1.0 H B:PHE265 4.4 44.5 1.0 N B:ALA266 4.4 43.2 1.0 H B:ALA266 4.5 51.8 1.0 SD B:MET29 4.5 32.1 1.0 CA B:ALA266 4.6 40.7 1.0 CA B:CYS263 4.6 38.3 1.0 CG B:MET29 4.6 27.5 1.0 HB2 B:PHE259 4.6 34.3 1.0 C B:PHE265 4.7 46.2 1.0 SG B:CYS254 4.7 39.2 1.0 CE2 B:PHE33 4.8 29.6 1.0 SG B:CYS27 4.8 32.8 1.0 HB3 B:PRO248 4.8 38.7 1.0 CB B:PHE265 4.8 33.5 1.0 SG B:CYS257 4.9 36.3 1.0 CB B:ALA266 4.9 47.0 1.0 HA B:CYS263 4.9 46.0 1.0 CB B:MET29 4.9 28.5 1.0 HD2 B:PHE33 4.9 32.2 1.0 HA B:ASN260 4.9 52.8 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.