Iron in PDB 8zqd: Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H

The structure of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Iron atom in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H (pdb code 8zqd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 28 binding sites of Iron where determined in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H, PDB code: 8zqd:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:18.3 occ:1.00 FE1 A:SF4701 0.0 18.3 1.0 S4 A:SF4701 2.1 2.9 1.0 S3 A:SF4701 2.1 4.5 1.0 S2 A:SF4701 2.1 4.7 1.0 SG A:CYS368 2.3 5.7 1.0 FE4 A:SF4701 2.9 12.2 1.0 FE3 A:SF4701 2.9 9.9 1.0 FE2 A:SF4701 2.9 16.7 1.0 CB A:CYS368 3.4 4.7 1.0 S1 A:SF4701 3.6 4.8 1.0 CB A:ALA566 3.9 7.7 1.0 N A:ALA566 4.0 13.3 1.0 CA A:CYS368 4.0 3.5 1.0 CD A:PRO369 4.3 2.8 1.0 CA A:ALA566 4.5 10.2 1.0 C A:CYS368 4.6 4.2 1.0 CB A:SER370 4.6 4.5 1.0 N A:PRO369 4.7 3.3 1.0 SG A:CYS423 4.8 4.3 1.0 N A:CYS567 4.8 10.9 1.0 CE A:MET565 4.8 11.9 1.0 N A:SER370 4.8 4.2 1.0 C2 A:402704 4.9 5.5 1.0 SG A:CYS567 4.9 6.7 1.0 SG A:CYS571 5.0 2.2 1.0

Iron binding site 2 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:16.7 occ:1.00 FE2 A:SF4701 0.0 16.7 1.0 S3 A:SF4701 2.2 4.5 1.0 S4 A:SF4701 2.2 2.9 1.0 S1 A:SF4701 2.2 4.8 1.0 SG A:CYS571 2.3 2.2 1.0 FE3 A:SF4701 2.9 9.9 1.0 FE1 A:SF4701 2.9 18.3 1.0 FE4 A:SF4701 3.0 12.2 1.0 CB A:CYS571 3.3 4.2 1.0 CA A:CYS571 3.4 4.3 1.0 S2 A:SF4701 3.7 4.7 1.0 C3 A:402704 3.7 4.1 1.0 N A:CYS571 3.8 5.1 1.0 FE1 A:402704 3.8 16.8 1.0 CE A:MET565 3.9 11.9 1.0 O3 A:402704 3.9 5.5 1.0 C2 A:402704 4.1 5.5 1.0 S2 A:402704 4.1 7.2 1.0 C A:GLY570 4.4 7.6 1.0 O A:GLY570 4.7 8.8 1.0 CB A:CYS423 4.7 2.0 1.0 C A:CYS571 4.8 4.8 1.0 C4 A:402704 4.9 4.5 1.0 SG A:CYS368 5.0 5.7 1.0

Iron binding site 3 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:9.9 occ:1.00 FE3 A:SF4701 0.0 9.9 1.0 S2 A:SF4701 2.1 4.7 1.0 S4 A:SF4701 2.2 2.9 1.0 S1 A:SF4701 2.2 4.8 1.0 SG A:CYS423 2.3 4.3 1.0 CB A:CYS423 2.6 2.0 1.0 FE2 A:SF4701 2.9 16.7 1.0 FE1 A:SF4701 2.9 18.3 1.0 FE4 A:SF4701 3.0 12.2 1.0 S3 A:SF4701 3.7 4.5 1.0 CA A:CYS423 3.8 3.2 1.0 O3 A:402704 3.8 5.5 1.0 C3 A:402704 4.4 4.1 1.0 CD A:PRO369 4.5 2.8 1.0 CG A:LYS426 4.7 1.9 1.0 C A:CYS423 4.7 2.7 1.0 N A:CYS423 4.7 2.2 1.0 SG A:CYS571 4.8 2.2 1.0 CE A:LYS426 4.8 3.1 1.0 CG A:PRO369 4.8 2.2 1.0 SG A:CYS368 4.9 5.7 1.0 SG A:CYS567 4.9 6.7 1.0 CB A:ALA425 5.0 2.6 1.0

Iron binding site 4 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:12.2 occ:1.00 FE4 A:SF4701 0.0 12.2 1.0 S1 A:SF4701 2.1 4.8 1.0 S2 A:SF4701 2.1 4.7 1.0 S3 A:SF4701 2.1 4.5 1.0 SG A:CYS567 2.3 6.7 1.0 FE1 A:SF4701 2.9 18.3 1.0 FE3 A:SF4701 3.0 9.9 1.0 FE2 A:SF4701 3.0 16.7 1.0 CB A:CYS567 3.1 5.5 1.0 N A:CYS567 3.6 10.9 1.0 S4 A:SF4701 3.8 2.9 1.0 CA A:CYS567 4.0 8.5 1.0 CA A:GLY574 4.2 5.3 1.0 O A:GLY570 4.4 8.8 1.0 CB A:ALA566 4.4 7.7 1.0 C A:ALA566 4.4 11.1 1.0 O A:CYS255 4.5 7.5 1.0 N A:ALA566 4.7 13.3 1.0 CA A:CYS571 4.7 4.3 1.0 CA A:ALA566 4.8 10.2 1.0 SG A:CYS423 4.8 4.3 1.0 C A:GLY570 4.9 7.6 1.0 SG A:CYS368 4.9 5.7 1.0 CB A:CYS423 4.9 2.0 1.0 N A:GLY574 4.9 4.9 1.0

Iron binding site 5 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:20.8 occ:1.00 FE1 A:SF4702 0.0 20.8 1.0 S3 A:SF4702 2.1 12.0 1.0 S2 A:SF4702 2.1 9.9 1.0 S4 A:SF4702 2.1 8.2 1.0 SG A:CYS232 2.3 20.7 1.0 FE4 A:SF4702 2.9 22.4 1.0 FE3 A:SF4702 2.9 25.1 1.0 FE2 A:SF4702 3.0 19.1 1.0 CB A:CYS232 3.4 17.7 1.0 S1 A:SF4702 3.7 4.0 1.0 CA A:CYS232 3.9 22.5 1.0 CD A:PRO233 3.9 21.2 1.0 CB A:CYS236 4.0 18.5 1.0 CG1 A:ILE237 4.4 19.6 1.0 CG2 A:VAL234 4.5 20.6 1.0 CD1 A:ILE237 4.5 15.8 1.0 SG A:CYS236 4.5 33.0 1.0 N A:PRO233 4.5 22.2 1.0 C A:CYS232 4.6 23.8 1.0 N A:CYS236 4.8 26.1 1.0 SG A:CYS255 4.9 6.8 1.0 CG A:PRO233 4.9 19.2 1.0 CA A:CYS236 5.0 21.6 1.0

Iron binding site 6 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:19.1 occ:1.00 FE2 A:SF4702 0.0 19.1 1.0 S4 A:SF4702 2.1 8.2 1.0 S3 A:SF4702 2.2 12.0 1.0 S1 A:SF4702 2.2 4.0 1.0 SG A:CYS258 2.3 9.4 1.0 FE3 A:SF4702 2.9 25.1 1.0 FE4 A:SF4702 3.0 22.4 1.0 FE1 A:SF4702 3.0 20.8 1.0 CB A:CYS258 3.0 10.7 1.0 N A:CYS258 3.6 12.2 1.0 S2 A:SF4702 3.7 9.9 1.0 CA A:CYS258 3.9 10.1 1.0 CD2 A:LEU216 4.2 9.3 1.0 CD1 A:ILE237 4.4 15.8 1.0 N A:ALA257 4.5 6.1 1.0 N A:GLY256 4.6 6.5 1.0 CD1 A:ILE247 4.7 10.4 1.0 SG A:CYS255 4.8 6.8 1.0 CA A:GLY256 4.8 6.1 1.0 SG A:CYS252 4.8 3.6 1.0 C A:ALA257 4.8 10.2 1.0 C A:GLY256 4.9 6.7 1.0 N A:VAL259 4.9 8.3 1.0 C A:CYS258 4.9 11.3 1.0 SG A:CYS232 4.9 20.7 1.0

Iron binding site 7 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:25.1 occ:1.00 FE3 A:SF4702 0.0 25.1 1.0 S1 A:SF4702 2.1 4.0 1.0 S4 A:SF4702 2.1 8.2 1.0 S2 A:SF4702 2.1 9.9 1.0 SG A:CYS255 2.3 6.8 1.0 FE2 A:SF4702 2.9 19.1 1.0 FE1 A:SF4702 2.9 20.8 1.0 FE4 A:SF4702 3.0 22.4 1.0 N A:CYS255 3.5 5.6 1.0 CB A:CYS255 3.5 5.6 1.0 S3 A:SF4702 3.7 12.0 1.0 N A:GLY256 3.7 6.5 1.0 OG1 A:THR253 3.9 9.5 1.0 CA A:CYS255 3.9 3.5 1.0 CD A:PRO233 4.0 21.2 1.0 N A:ALA257 4.1 6.1 1.0 C A:CYS255 4.2 6.0 1.0 CG A:PRO233 4.5 19.2 1.0 C A:HIS254 4.6 4.3 1.0 N A:HIS254 4.6 6.6 1.0 CA A:GLY256 4.7 6.1 1.0 CB A:ALA257 4.7 9.3 1.0 N A:CYS258 4.8 12.2 1.0 C A:GLY256 4.9 6.7 1.0 SG A:CYS232 4.9 20.7 1.0 CA A:HIS254 4.9 5.2 1.0 CA A:ALA257 4.9 9.0 1.0 SG A:CYS258 4.9 9.4 1.0 SG A:CYS252 4.9 3.6 1.0

Iron binding site 8 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:22.4 occ:1.00 FE4 A:SF4702 0.0 22.4 1.0 S1 A:SF4702 2.1 4.0 1.0 S3 A:SF4702 2.1 12.0 1.0 S2 A:SF4702 2.1 9.9 1.0 SG A:CYS252 2.3 3.6 1.0 FE1 A:SF4702 2.9 20.8 1.0 FE2 A:SF4702 3.0 19.1 1.0 FE3 A:SF4702 3.0 25.1 1.0 CB A:CYS252 3.4 7.9 1.0 S4 A:SF4702 3.7 8.2 1.0 CA A:CYS252 3.8 9.2 1.0 N A:THR253 3.8 9.0 1.0 N A:HIS254 3.9 6.6 1.0 C A:CYS252 4.2 9.1 1.0 SG A:CYS236 4.3 33.0 1.0 CA A:HIS254 4.4 5.2 1.0 CG2 A:ILE247 4.6 11.1 1.0 CD2 A:LEU216 4.6 9.3 1.0 OG1 A:THR253 4.7 9.5 1.0 N A:CYS255 4.7 5.6 1.0 C A:THR253 4.8 6.3 1.0 CA A:THR253 4.8 7.8 1.0 CB A:CYS236 4.9 18.5 1.0 SG A:CYS258 4.9 9.4 1.0 SG A:CYS232 5.0 20.7 1.0

Iron binding site 9 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:38.0 occ:1.00 FE1 A:SF4703 0.0 38.0 1.0 S4 A:SF4703 2.1 21.8 1.0 S2 A:SF4703 2.1 23.2 1.0 S3 A:SF4703 2.1 23.5 1.0 SG A:CYS225 2.3 23.6 1.0 FE4 A:SF4703 2.9 34.7 1.0 FE3 A:SF4703 2.9 32.9 1.0 FE2 A:SF4703 3.0 32.6 1.0 N A:CYS225 3.4 24.8 1.0 CB A:CYS225 3.6 21.8 1.0 S1 A:SF4703 3.6 15.9 1.0 N A:GLY226 3.8 24.7 1.0 CA A:CYS225 3.9 24.4 1.0 CD A:PRO263 3.9 17.3 1.0 N A:ALA227 4.1 22.9 1.0 C A:CYS225 4.2 26.8 1.0 C A:GLY224 4.5 28.2 1.0 N A:GLY224 4.5 30.1 1.0 CB A:ALA227 4.5 18.7 1.0 CG A:PRO263 4.6 20.1 1.0 CG1 A:ILE223 4.6 24.9 1.0 N A:CYS228 4.7 18.6 1.0 CA A:GLY226 4.7 22.2 1.0 CA A:GLY224 4.8 28.1 1.0 CA A:ALA227 4.8 21.6 1.0 C A:GLY226 4.9 22.1 1.0 SG A:CYS262 4.9 20.4 1.0 SG A:CYS228 4.9 25.3 1.0 SG A:CYS222 4.9 29.1 1.0

Iron binding site 10 out of 28 in the Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:32.6 occ:1.00 FE2 A:SF4703 0.0 32.6 1.0 S4 A:SF4703 2.1 21.8 1.0 S3 A:SF4703 2.2 23.5 1.0 S1 A:SF4703 2.2 15.9 1.0 SG A:CYS222 2.3 29.1 1.0 FE3 A:SF4703 2.9 32.9 1.0 FE4 A:SF4703 2.9 34.7 1.0 FE1 A:SF4703 3.0 38.0 1.0 CB A:CYS222 3.2 18.6 1.0 S2 A:SF4703 3.7 23.2 1.0 CA A:CYS222 3.7 19.5 1.0 N A:GLY224 3.7 30.1 1.0 N A:ILE223 3.8 25.2 1.0 C A:CYS222 4.1 23.2 1.0 CA A:GLY224 4.3 28.1 1.0 CG2 A:ILE218 4.6 17.8 1.0 N A:CYS225 4.6 24.8 1.0 C A:ILE223 4.7 31.6 1.0 CB A:ALA266 4.7 16.7 1.0 ND1 A:HIS245 4.8 27.8 1.0 CA A:ILE223 4.8 24.4 1.0 SG A:CYS228 4.9 25.3 1.0 CB A:HIS245 4.9 23.7 1.0 CG A:HIS245 4.9 26.8 1.0 C A:GLY224 5.0 28.2 1.0 SG A:CYS262 5.0 20.4 1.0

J.Duan, A.Rutz, A.Kawamoto, S.Naskar, K.Edenharter, S.Leimkuhler, E.Hofmann, T.Happe, G.Kurisu. Anaerobically Isolated Active [Fefe]-Hydrogenase CBA5H To Be Published.