Iron in PDB 5bys: Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor

All present enzymatic activity of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor:
1.12.7.2;

The structure of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor, PDB code: 5bys was solved by J.Esselborn, N.Muraki, V.Engelbrecht, E.Hofmann, G.Kurisu, T.Happe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.05 / 1.93
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.830, 73.130, 103.040, 90.00, 96.60, 90.00
R / Rfree (%)	15.8 / 18.8

The structure of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Iron atom in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor (pdb code 5bys). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 40 binding sites of Iron where determined in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor, PDB code: 5bys:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:17.2 occ:1.00 FE1 A:SF4601 0.0 17.2 1.0 S2 A:SF4601 2.3 17.6 1.0 S4 A:SF4601 2.3 15.1 1.0 S3 A:SF4601 2.3 16.3 1.0 SG A:CYS355 2.3 16.7 1.0 FE3 A:SF4601 2.7 17.2 1.0 FE4 A:SF4601 2.7 17.3 1.0 FE2 A:SF4601 2.7 16.7 1.0 HB2 A:CYS355 2.9 21.6 1.0 CB A:CYS355 3.2 18.0 1.0 HD2 A:PRO301 3.6 20.2 1.0 HB3 A:SER357 3.7 22.5 1.0 S1 A:SF4601 3.8 17.9 1.0 O A:HOH752 3.9 15.8 1.0 HB3 A:CYS355 3.9 21.6 1.0 O3 A:4WX606 4.0 16.0 1.0 HG2 A:LYS358 4.0 18.5 1.0 HA A:CYS355 4.1 22.3 1.0 HG2 A:PRO301 4.2 22.7 1.0 HE2 A:LYS358 4.2 18.2 1.0 CA A:CYS355 4.3 18.6 1.0 HB2 A:SER357 4.4 22.5 1.0 H A:SER357 4.4 19.3 1.0 CB A:SER357 4.5 18.8 1.0 CD A:PRO301 4.5 16.9 1.0 H A:GLY302 4.6 18.2 1.0 C3 A:4WX606 4.6 16.4 1.0 H A:LYS358 4.6 20.3 1.0 CG A:PRO301 4.8 18.9 1.0 SG A:CYS300 4.8 15.8 1.0 SG A:CYS503 4.8 19.3 1.0 SG A:CYS499 4.8 16.9 1.0 HA A:CYS300 4.8 21.0 1.0 HA A:CYS503 4.9 20.8 1.0 HA3 A:GLY506 4.9 21.0 1.0 HA A:CYS193 4.9 20.0 1.0 CG A:LYS358 5.0 15.4 1.0 H A:GLY507 5.0 21.8 1.0 HG2 A:PRO354 5.0 21.5 1.0

Iron binding site 2 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:16.7 occ:1.00 FE2 A:SF4601 0.0 16.7 1.0 S1 A:SF4601 2.3 17.9 1.0 S4 A:SF4601 2.3 15.1 1.0 S3 A:SF4601 2.3 16.3 1.0 SG A:CYS499 2.4 16.9 1.0 FE1 A:SF4601 2.7 17.2 1.0 FE3 A:SF4601 2.7 17.2 1.0 FE4 A:SF4601 2.8 17.3 1.0 HB2 A:CYS499 2.8 19.1 1.0 CB A:CYS499 3.2 15.9 1.0 H A:CYS499 3.3 21.2 1.0 HA2 A:GLY506 3.5 21.0 1.0 HB3 A:ALA498 3.8 24.1 1.0 N A:CYS499 3.8 17.7 1.0 HA A:CYS503 3.8 20.8 1.0 HB3 A:CYS499 3.9 19.1 1.0 S2 A:SF4601 3.9 17.6 1.0 HA3 A:GLY506 4.1 21.0 1.0 CA A:CYS499 4.1 18.1 1.0 O A:HOH752 4.2 15.8 1.0 CA A:GLY506 4.2 17.5 1.0 H A:GLY507 4.3 21.8 1.0 HB2 A:CYS193 4.4 19.0 1.0 H A:ALA498 4.4 19.9 1.0 HA A:CYS499 4.6 21.7 1.0 SG A:CYS355 4.7 16.7 1.0 CB A:ALA498 4.7 20.1 1.0 C A:ALA498 4.7 18.0 1.0 CA A:CYS503 4.7 17.3 1.0 HB2 A:CYS355 4.8 21.6 1.0 HE21 A:GLN195 4.8 23.4 1.0 SG A:CYS300 4.8 15.8 1.0 N A:ALA498 4.9 16.6 1.0 HA A:CYS193 4.9 20.0 1.0 SG A:CYS503 5.0 19.3 1.0 N A:GLY507 5.0 18.2 1.0 CA A:ALA498 5.0 19.1 1.0

Iron binding site 3 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:17.2 occ:1.00 FE3 A:SF4601 0.0 17.2 1.0 S4 A:SF4601 2.3 15.1 1.0 S2 A:SF4601 2.3 17.6 1.0 S1 A:SF4601 2.3 17.9 1.0 SG A:CYS300 2.3 15.8 1.0 FE1 A:SF4601 2.7 17.2 1.0 FE2 A:SF4601 2.7 16.7 1.0 FE4 A:SF4601 2.8 17.3 1.0 H A:ALA498 3.2 19.9 1.0 HB2 A:CYS300 3.3 19.1 1.0 HB3 A:ALA498 3.4 24.1 1.0 CB A:CYS300 3.4 15.9 1.0 HD2 A:PRO301 3.4 20.2 1.0 HA A:CYS300 3.5 21.0 1.0 H A:GLY302 3.6 18.2 1.0 S3 A:SF4601 3.9 16.3 1.0 CA A:CYS300 3.9 17.5 1.0 H A:CYS499 4.0 21.2 1.0 N A:ALA498 4.0 16.6 1.0 CB A:ALA498 4.2 20.1 1.0 HB3 A:CYS300 4.2 19.1 1.0 HA3 A:GLY302 4.2 20.1 1.0 HB2 A:ALA498 4.3 24.1 1.0 CD A:PRO301 4.3 16.9 1.0 HA A:MET497 4.3 24.4 1.0 N A:GLY302 4.4 15.2 1.0 C A:CYS300 4.4 16.5 1.0 H A:TRP303 4.5 20.4 1.0 N A:PRO301 4.5 15.7 1.0 CA A:ALA498 4.7 19.1 1.0 HB3 A:MET497 4.7 21.3 1.0 N A:CYS499 4.7 17.7 1.0 SG A:CYS499 4.8 16.9 1.0 HG2 A:PRO301 4.8 22.7 1.0 SG A:CYS503 4.8 19.3 1.0 CA A:GLY302 4.8 16.7 1.0 HB2 A:CYS499 4.8 19.1 1.0 HD3 A:PRO301 4.9 20.2 1.0 SG A:CYS355 4.9 16.7 1.0 SD A:MET497 4.9 19.9 1.0 HB1 A:ALA498 4.9 24.1 1.0 C A:MET497 5.0 18.2 1.0 HB3 A:SER357 5.0 22.5 1.0 CA A:MET497 5.0 20.4 1.0

Iron binding site 4 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:17.3 occ:1.00 FE4 A:SF4601 0.0 17.3 1.0 S3 A:SF4601 2.3 16.3 1.0 S2 A:SF4601 2.3 17.6 1.0 S1 A:SF4601 2.3 17.9 1.0 SG A:CYS503 2.4 19.3 1.0 FE1 A:SF4601 2.7 17.2 1.0 FE3 A:SF4601 2.8 17.2 1.0 FE2 A:SF4601 2.8 16.7 1.0 HA A:CYS503 2.9 20.8 1.0 CB A:CYS503 3.3 15.0 1.0 CA A:CYS503 3.5 17.3 1.0 HB3 A:CYS503 3.5 18.0 1.0 C3 A:4WX606 3.8 16.4 1.0 O3 A:4WX606 3.9 16.0 1.0 S4 A:SF4601 3.9 15.1 1.0 N A:CYS503 4.0 17.9 1.0 FE1 A:4WX606 4.0 17.7 1.0 H A:CYS503 4.0 21.5 1.0 HB2 A:CYS355 4.1 21.6 1.0 HB2 A:CYS503 4.2 18.0 1.0 S2 A:4WX606 4.2 16.8 1.0 C2 A:4WX606 4.3 19.0 1.0 HB2 A:CYS499 4.4 19.1 1.0 HG2 A:PRO354 4.4 21.5 1.0 C A:GLY502 4.7 18.1 1.0 HB2 A:CYS300 4.7 19.1 1.0 SG A:CYS355 4.8 16.7 1.0 HD2 A:PRO301 4.8 20.2 1.0 C A:CYS503 4.8 15.8 1.0 HA3 A:GLY506 4.8 21.0 1.0 SD A:MET497 4.8 19.9 1.0 HA A:CYS300 4.9 21.0 1.0 SG A:CYS300 4.9 15.8 1.0 CB A:CYS355 4.9 18.0 1.0 H A:CYS499 4.9 21.2 1.0 HB3 A:MET497 5.0 21.3 1.0 SG A:CYS499 5.0 16.9 1.0

Iron binding site 5 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:18.0 occ:1.00 FE1 A:SF4602 0.0 18.0 1.0 S4 A:SF4602 2.3 17.6 1.0 SG A:CYS193 2.3 16.6 1.0 S2 A:SF4602 2.3 15.7 1.0 S3 A:SF4602 2.4 16.6 1.0 FE3 A:SF4602 2.8 17.5 1.0 FE2 A:SF4602 2.8 16.6 1.0 FE4 A:SF4602 2.8 17.4 1.0 H A:CYS193 3.0 19.3 1.0 HG21 A:THR161 3.1 21.3 1.0 H A:GLY194 3.2 20.7 1.0 H A:GLN195 3.4 19.7 1.0 CB A:CYS193 3.6 15.8 1.0 N A:CYS193 3.6 16.1 1.0 N A:GLY194 3.8 17.3 1.0 HB3 A:CYS193 3.8 19.0 1.0 HB2 A:LEU191 3.8 22.1 1.0 HB2 A:GLN195 3.9 24.2 1.0 H A:LEU191 4.0 20.7 1.0 S1 A:SF4602 4.0 19.6 1.0 CA A:CYS193 4.0 16.7 1.0 CG2 A:THR161 4.0 17.7 1.0 H A:LEU192 4.0 23.8 1.0 H A:CYS196 4.1 20.1 1.0 HG23 A:THR161 4.2 21.3 1.0 N A:GLN195 4.2 16.4 1.0 C A:CYS193 4.2 15.3 1.0 HG22 A:THR161 4.3 21.3 1.0 N A:LEU192 4.4 19.8 1.0 HB2 A:CYS193 4.4 19.0 1.0 C A:LEU192 4.6 16.6 1.0 N A:LEU191 4.7 17.2 1.0 HA A:LEU192 4.7 21.4 1.0 CB A:LEU191 4.7 18.4 1.0 CA A:GLY194 4.8 19.3 1.0 SG A:CYS190 4.8 18.6 1.0 CB A:GLN195 4.8 20.2 1.0 SG A:CYS196 4.8 18.1 1.0 HG A:LEU191 4.8 23.2 1.0 HG2 A:GLN195 4.8 23.4 1.0 HA A:CYS157 4.8 19.6 1.0 CA A:LEU192 4.9 17.9 1.0 HA2 A:GLY194 4.9 23.2 1.0 HD12 A:LEU191 4.9 26.8 1.0 SG A:CYS157 4.9 17.6 1.0 HA A:CYS193 4.9 20.0 1.0 N A:CYS196 5.0 16.8 1.0 C A:GLY194 5.0 19.4 1.0 C A:LEU191 5.0 18.8 1.0

Iron binding site 6 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:16.6 occ:1.00 FE2 A:SF4602 0.0 16.6 1.0 S3 A:SF4602 2.3 16.6 1.0 S4 A:SF4602 2.3 17.6 1.0 S1 A:SF4602 2.3 19.6 1.0 SG A:CYS157 2.4 17.6 1.0 FE4 A:SF4602 2.7 17.4 1.0 FE3 A:SF4602 2.8 17.5 1.0 FE1 A:SF4602 2.8 18.0 1.0 HB2 A:CYS157 3.1 19.7 1.0 HB3 A:ALA165 3.2 23.9 1.0 CB A:CYS157 3.3 16.4 1.0 HA A:CYS157 3.5 19.6 1.0 HG21 A:THR161 3.6 21.3 1.0 H A:MET166 3.8 20.9 1.0 HG1 A:THR163 3.8 23.5 1.0 S2 A:SF4602 3.9 15.7 1.0 CA A:CYS157 3.9 16.4 1.0 H A:ALA165 4.0 25.1 1.0 HB2 A:MET166 4.0 22.8 1.0 HG1 A:THR161 4.0 19.5 1.0 OG1 A:THR163 4.1 19.6 1.0 HB3 A:CYS157 4.1 19.7 1.0 OG1 A:THR161 4.1 16.3 1.0 CB A:ALA165 4.2 19.9 1.0 HG23 A:THR161 4.3 21.3 1.0 N A:MET166 4.3 17.4 1.0 CG2 A:THR161 4.3 17.7 1.0 HB3 A:CYS196 4.4 21.0 1.0 HB2 A:ALA165 4.5 23.9 1.0 N A:ALA165 4.6 20.9 1.0 HB3 A:MET166 4.6 22.8 1.0 HA A:CYS190 4.6 21.6 1.0 H A:LEU191 4.7 20.7 1.0 HB1 A:ALA165 4.7 23.9 1.0 CB A:MET166 4.7 19.0 1.0 H A:CYS196 4.7 20.1 1.0 CA A:ALA165 4.8 18.9 1.0 C A:CYS157 4.8 18.3 1.0 SG A:CYS193 4.8 16.6 1.0 CB A:THR161 4.9 18.3 1.0 C A:ALA165 4.9 20.9 1.0 O A:CYS157 4.9 16.2 1.0 SG A:CYS196 4.9 18.1 1.0 SG A:CYS190 5.0 18.6 1.0

Iron binding site 7 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:17.5 occ:1.00 FE3 A:SF4602 0.0 17.5 1.0 S2 A:SF4602 2.3 15.7 1.0 S1 A:SF4602 2.3 19.6 1.0 S4 A:SF4602 2.3 17.6 1.0 SG A:CYS196 2.4 18.1 1.0 FE4 A:SF4602 2.7 17.4 1.0 FE2 A:SF4602 2.8 16.6 1.0 FE1 A:SF4602 2.8 18.0 1.0 HB3 A:CYS196 3.0 21.0 1.0 H A:CYS196 3.0 20.1 1.0 CB A:CYS196 3.3 17.5 1.0 HE2 A:MET166 3.7 20.8 1.0 H A:GLY194 3.8 20.7 1.0 HD11 A:LEU140 3.8 37.6 1.0 N A:CYS196 3.8 16.8 1.0 S3 A:SF4602 3.9 16.6 1.0 HB2 A:CYS196 4.0 21.0 1.0 HB2 A:MET166 4.1 22.8 1.0 H A:GLN195 4.2 19.7 1.0 HD13 A:LEU140 4.2 37.6 1.0 CA A:CYS196 4.2 16.1 1.0 HB2 A:CYS157 4.2 19.7 1.0 HA2 A:GLY194 4.3 23.2 1.0 N A:GLY194 4.4 17.3 1.0 CD1 A:LEU140 4.5 31.3 1.0 N A:GLN195 4.5 16.4 1.0 CE A:MET166 4.6 17.3 1.0 SG A:CYS190 4.7 18.6 1.0 CA A:GLY194 4.7 19.3 1.0 SG A:CYS193 4.8 16.6 1.0 HE3 A:MET166 4.8 20.8 1.0 HA A:CYS196 4.8 19.3 1.0 SG A:CYS157 4.8 17.6 1.0 HB2 A:GLN195 4.8 24.2 1.0 C A:GLY194 4.9 19.4 1.0 HD21 A:LEU140 4.9 35.1 1.0 H A:ILE197 4.9 20.4 1.0 CB A:CYS157 5.0 16.4 1.0 C A:GLN195 5.0 15.8 1.0 H A:CYS193 5.0 19.3 1.0 HB3 A:ALA165 5.0 23.9 1.0 HA A:CYS157 5.0 19.6 1.0

Iron binding site 8 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:17.4 occ:1.00 FE4 A:SF4602 0.0 17.4 1.0 S1 A:SF4602 2.3 19.6 1.0 S2 A:SF4602 2.3 15.7 1.0 SG A:CYS190 2.3 18.6 1.0 S3 A:SF4602 2.3 16.6 1.0 FE2 A:SF4602 2.7 16.6 1.0 FE3 A:SF4602 2.7 17.5 1.0 FE1 A:SF4602 2.8 18.0 1.0 H A:LEU192 3.1 23.8 1.0 H A:LEU191 3.2 20.7 1.0 HA A:CYS190 3.3 21.6 1.0 HB3 A:ALA165 3.3 23.9 1.0 CB A:CYS190 3.4 20.4 1.0 HB2 A:CYS190 3.5 24.4 1.0 CA A:CYS190 3.8 18.0 1.0 HD11 A:LEU140 3.8 37.6 1.0 N A:LEU191 3.8 17.2 1.0 N A:LEU192 3.9 19.8 1.0 S4 A:SF4602 3.9 17.6 1.0 HA A:LEU192 4.0 21.4 1.0 HB1 A:ALA165 4.1 23.9 1.0 CB A:ALA165 4.1 19.9 1.0 HD2 A:PHE185 4.1 25.4 1.0 H A:CYS193 4.1 19.3 1.0 C A:CYS190 4.2 19.7 1.0 HB3 A:CYS190 4.2 24.4 1.0 HB2 A:ALA165 4.4 23.9 1.0 CA A:LEU192 4.5 17.9 1.0 H A:GLY194 4.5 20.7 1.0 HD23 A:LEU192 4.6 21.0 1.0 CD1 A:LEU140 4.7 31.3 1.0 CD2 A:PHE185 4.7 21.1 1.0 HB2 A:LEU191 4.7 22.1 1.0 N A:CYS193 4.8 16.1 1.0 CA A:LEU191 4.8 18.9 1.0 C A:LEU191 4.9 18.8 1.0 SG A:CYS157 4.9 17.6 1.0 HB3 A:PHE185 4.9 24.7 1.0 SG A:CYS196 4.9 18.1 1.0 HE2 A:PHE185 4.9 25.3 1.0 HD12 A:LEU140 5.0 37.6 1.0 HD13 A:LEU140 5.0 37.6 1.0 HG21 A:THR161 5.0 21.3 1.0

Iron binding site 9 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:18.3 occ:1.00 FE1 A:SF4603 0.0 18.3 1.0 S2 A:SF4603 2.2 18.1 1.0 S4 A:SF4603 2.3 17.6 1.0 S3 A:SF4603 2.3 17.7 1.0 SG A:CYS200 2.4 21.3 1.0 FE3 A:SF4603 2.7 19.6 1.0 FE4 A:SF4603 2.7 17.9 1.0 FE2 A:SF4603 2.7 19.2 1.0 HB3 A:ALA204 2.9 24.4 1.0 HD2 A:PRO201 3.0 23.1 1.0 HA A:CYS200 3.4 21.4 1.0 HB2 A:CYS200 3.5 23.2 1.0 CB A:CYS200 3.5 19.3 1.0 CB A:ALA204 3.8 20.4 1.0 HG22 A:VAL202 3.8 26.0 1.0 HD12 A:LEU205 3.9 25.2 1.0 S1 A:SF4603 3.9 19.1 1.0 CD A:PRO201 3.9 19.2 1.0 CA A:CYS200 3.9 17.8 1.0 HG A:LEU205 4.0 22.4 1.0 HB1 A:ALA204 4.0 24.4 1.0 HG23 A:VAL202 4.0 26.0 1.0 HB2 A:ALA204 4.0 24.4 1.0 HB3 A:CYS153 4.3 21.1 1.0 HD3 A:PRO201 4.3 23.1 1.0 CG2 A:VAL202 4.3 21.7 1.0 HB3 A:CYS200 4.3 23.2 1.0 H A:LEU205 4.3 25.4 1.0 H A:VAL202 4.4 27.3 1.0 HA A:CYS147 4.4 27.0 1.0 HD11 A:LEU205 4.5 25.2 1.0 CD1 A:LEU205 4.5 21.0 1.0 N A:PRO201 4.6 19.3 1.0 H A:ALA204 4.6 26.0 1.0 H A:CYS153 4.6 18.1 1.0 H A:LEU148 4.6 25.3 1.0 HG21 A:VAL202 4.6 26.0 1.0 HG2 A:PRO201 4.7 28.5 1.0 CG A:LEU205 4.7 18.6 1.0 C A:CYS200 4.7 19.9 1.0 SG A:CYS150 4.7 19.2 1.0 HB2 A:LEU205 4.8 25.4 1.0 SG A:CYS153 4.8 19.7 1.0 N A:LEU205 4.9 21.2 1.0 CG A:PRO201 4.9 23.8 1.0 CA A:ALA204 4.9 20.9 1.0

Iron binding site 10 out of 40 in the Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Semisynthetic [Fefe]-Hydrogenase Cpi with Sulfur-Dithiolato-Bridged [2FE] Cofactor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:19.2 occ:1.00 FE2 A:SF4603 0.0 19.2 1.0 S1 A:SF4603 2.3 19.1 1.0 S3 A:SF4603 2.3 17.7 1.0 S4 A:SF4603 2.3 17.6 1.0 SG A:CYS150 2.3 19.2 1.0 FE1 A:SF4603 2.7 18.3 1.0 FE4 A:SF4603 2.8 17.9 1.0 FE3 A:SF4603 2.8 19.6 1.0 H A:CYS150 2.8 23.8 1.0 HD2 A:PRO201 3.4 23.1 1.0 H A:ARG152 3.4 21.9 1.0 H A:GLY151 3.4 23.4 1.0 N A:CYS150 3.5 19.9 1.0 CB A:CYS150 3.5 19.9 1.0 HB3 A:CYS150 3.7 23.9 1.0 HB2 A:ARG152 3.7 20.5 1.0 N A:GLY151 3.9 19.5 1.0 CA A:CYS150 3.9 17.5 1.0 S2 A:SF4603 3.9 18.1 1.0 H A:CYS153 4.0 18.1 1.0 HB2 A:LEU148 4.1 23.7 1.0 HD3 A:PRO201 4.1 23.1 1.0 H A:LEU148 4.1 25.3 1.0 CD A:PRO201 4.1 19.2 1.0 N A:ARG152 4.2 18.2 1.0 C A:CYS150 4.2 22.2 1.0 H A:LEU149 4.3 25.0 1.0 HB2 A:CYS150 4.4 23.9 1.0 HA A:LEU149 4.4 23.6 1.0 HG3 A:PRO201 4.4 28.5 1.0 N A:LEU149 4.5 20.9 1.0 HA A:CYS200 4.5 21.4 1.0 HG2 A:PRO201 4.5 28.5 1.0 C A:LEU149 4.5 21.5 1.0 CG A:PRO201 4.6 23.8 1.0 CB A:ARG152 4.6 17.1 1.0 CA A:LEU149 4.7 19.7 1.0 N A:LEU148 4.8 21.1 1.0 HD3 A:ARG152 4.8 22.9 1.0 N A:CYS153 4.8 15.1 1.0 SG A:CYS153 4.8 19.7 1.0 SG A:CYS147 4.8 21.6 1.0 SG A:CYS200 4.8 21.3 1.0 HG22 A:VAL202 4.8 26.0 1.0 HA A:CYS150 4.8 21.1 1.0 CA A:GLY151 4.8 20.6 1.0 CB A:LEU148 4.9 19.7 1.0 CA A:ARG152 4.9 18.2 1.0 C A:GLY151 4.9 17.9 1.0 C A:LEU148 5.0 21.8 1.0

J.Esselborn, N.Muraki, K.Klein, V.Engelbrecht, N.Metzler-Nolte, U.P.Apfel, E.Hofmann, G.Kurisu, T.Happe. A Structural View of Synthetic Cofactor Integration Into [Fefe]-Hydrogenases. Chem Sci V. 7 959 2016.
ISSN: ISSN 2041-6520
PubMed: 29896366
DOI: 10.1039/C5SC03397G