Iron in PDB 7zxx: K563H Mutant of Recombinant Codh-II

All present enzymatic activity of K563H Mutant of Recombinant Codh-II:
1.2.7.4;

The structure of K563H Mutant of Recombinant Codh-II, PDB code: 7zxx was solved by Y.Basak, J.H.Jeoung, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.74 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.84, 75.47, 71.34, 90, 111.54, 90
R / Rfree (%)	11.6 / 14.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Iron atom in the K563H Mutant of Recombinant Codh-II (pdb code 7zxx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 11 binding sites of Iron where determined in the K563H Mutant of Recombinant Codh-II, PDB code: 7zxx:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe701 b:13.0 occ:1.00 FE1 X:SF4701 0.0 13.0 1.0 S3 X:SF4701 2.2 13.2 1.0 S4 X:SF4701 2.3 12.6 1.0 S2 X:SF4701 2.3 12.7 1.0 SG X:CYS56 2.3 13.3 1.0 FE3 X:SF4701 2.7 12.7 1.0 FE2 X:SF4701 2.7 13.0 1.0 FE4 X:SF4701 2.7 12.9 1.0 HB2 X:CYS56 2.9 16.0 1.0 CB X:CYS56 3.2 13.3 1.0 H X:ILE69 3.3 15.4 1.0 HB X:ILE69 3.5 16.2 1.0 HB3 X:CYS56 3.8 16.0 1.0 S1 X:SF4701 3.8 12.0 1.0 HB3 X:CYS48 3.9 15.5 1.0 H X:CYS70 4.0 15.5 1.0 HA2 X:GLY54 4.0 16.8 1.0 N X:ILE69 4.1 12.8 1.0 HA3 X:GLY54 4.2 16.8 1.0 H X:CYS56 4.2 15.1 1.0 HA3 X:GLY68 4.3 14.5 1.0 HD12 X:ILE69 4.3 18.2 1.0 CB X:ILE69 4.4 13.5 1.0 CA X:GLY54 4.4 14.0 1.0 HB2 X:GLN53 4.4 16.3 1.0 CA X:CYS56 4.5 12.4 1.0 N X:CYS56 4.5 12.6 1.0 N X:GLY54 4.5 13.0 1.0 HA2 X:GLY68 4.6 14.5 1.0 H X:GLY54 4.6 15.6 1.0 O X:CYS48 4.6 13.0 1.0 SG X:CYS51 4.7 12.8 1.0 SG X:CYS48 4.7 12.6 1.0 CB X:CYS48 4.7 12.9 1.0 HG13 X:ILE69 4.7 16.4 1.0 N X:CYS70 4.8 12.9 1.0 CA X:GLY68 4.8 12.1 1.0 SG X:CYS70 4.8 13.7 1.0 CA X:ILE69 4.8 13.0 1.0 C X:GLY68 4.9 11.2 1.0 HA X:CYS56 4.9 14.8 1.0 C X:GLN53 5.0 14.1 1.0 CG1 X:ILE69 5.0 13.7 1.0 HE21 X:GLN53 5.0 19.1 1.0

Iron binding site 2 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe701 b:13.0 occ:1.00 FE2 X:SF4701 0.0 13.0 1.0 S4 X:SF4701 2.2 12.6 1.0 S3 X:SF4701 2.3 13.2 1.0 SG X:CYS51 2.3 12.8 1.0 S1 X:SF4701 2.3 12.0 1.0 FE1 X:SF4701 2.7 13.0 1.0 FE3 X:SF4701 2.7 12.7 1.0 FE4 X:SF4701 2.8 12.9 1.0 H X:CYS51 3.3 14.9 1.0 HB3 X:CYS51 3.3 16.2 1.0 CB X:CYS51 3.4 13.5 1.0 N X:CYS51 3.6 12.4 1.0 HB2 X:GLN53 3.7 16.3 1.0 HG3 X:MET199 3.7 16.6 1.0 S2 X:SF4701 3.9 12.7 1.0 CA X:CYS51 3.9 13.2 1.0 HE21 X:GLN53 4.0 19.1 1.0 H X:GLY54 4.0 15.6 1.0 HB2 X:MET199 4.1 15.5 1.0 HB2 X:CYS51 4.2 16.2 1.0 H X:GLN53 4.2 15.9 1.0 O X:CYS51 4.2 13.6 1.0 HG2 X:MET199 4.3 16.6 1.0 C X:CYS51 4.3 12.3 1.0 C X:HIS50 4.3 12.4 1.0 CG X:MET199 4.4 13.9 1.0 N X:GLY54 4.4 13.0 1.0 H X:HIS50 4.5 14.7 1.0 HB3 X:CYS70 4.5 16.6 1.0 HB2 X:HIS50 4.6 15.6 1.0 CB X:GLN53 4.6 13.6 1.0 HA3 X:GLY54 4.6 16.8 1.0 N X:HIS50 4.8 12.3 1.0 CB X:MET199 4.8 12.9 1.0 HA X:CYS51 4.8 15.8 1.0 SG X:CYS70 4.8 13.7 1.0 SG X:CYS48 4.8 12.6 1.0 NE2 X:GLN53 4.8 15.9 1.0 N X:GLN53 4.8 13.3 1.0 SG X:CYS56 4.9 13.3 1.0 H X:CYS70 4.9 15.5 1.0 HB X:ILE69 5.0 16.2 1.0 C X:GLN53 5.0 14.1 1.0 CA X:GLY54 5.0 14.0 1.0 CA X:HIS50 5.0 11.9 1.0

Iron binding site 3 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe701 b:12.7 occ:1.00 FE3 X:SF4701 0.0 12.7 1.0 S1 X:SF4701 2.2 12.0 1.0 S4 X:SF4701 2.2 12.6 1.0 S2 X:SF4701 2.3 12.7 1.0 SG X:CYS48 2.3 12.6 1.0 FE1 X:SF4701 2.7 13.0 1.0 FE2 X:SF4701 2.7 13.0 1.0 FE4 X:SF4701 2.7 12.9 1.0 HB3 X:CYS48 2.9 15.5 1.0 CB X:CYS48 3.2 12.9 1.0 H X:HIS50 3.2 14.7 1.0 HH22 X:ARG80 3.2 16.1 1.0 HB2 X:HIS50 3.5 15.6 1.0 HH21 X:ARG80 3.6 16.1 1.0 NH2 X:ARG80 3.7 13.4 1.0 HB2 X:CYS48 3.8 15.5 1.0 S3 X:SF4701 3.8 13.2 1.0 HB2 X:CYS56 3.9 16.0 1.0 N X:HIS50 4.0 12.3 1.0 H X:CYS51 4.1 14.9 1.0 C X:CYS48 4.2 12.4 1.0 O X:CYS48 4.2 13.0 1.0 CA X:CYS48 4.3 11.5 1.0 CB X:HIS50 4.3 13.0 1.0 N X:CYS51 4.5 12.4 1.0 CA X:HIS50 4.5 11.9 1.0 N X:ARG49 4.6 12.2 1.0 SG X:CYS56 4.7 13.3 1.0 HG12 X:ILE77 4.7 17.4 1.0 CB X:CYS56 4.7 13.3 1.0 C X:HIS50 4.7 12.4 1.0 HA X:CYS48 4.8 13.8 1.0 CZ X:ARG80 4.8 12.9 1.0 HA X:ARG49 4.8 14.6 1.0 SG X:CYS70 4.9 13.7 1.0 SG X:CYS51 4.9 12.8 1.0 HB3 X:ALA72 4.9 18.8 1.0 C X:ARG49 4.9 12.4 1.0 H X:CYS56 5.0 15.1 1.0 H X:ARG49 5.0 14.7 1.0 HB3 X:HIS50 5.0 15.6 1.0

Iron binding site 4 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe701 b:12.9 occ:1.00 FE4 X:SF4701 0.0 12.9 1.0 S2 X:SF4701 2.2 12.7 1.0 SG X:CYS70 2.3 13.7 1.0 S1 X:SF4701 2.3 12.0 1.0 S3 X:SF4701 2.3 13.2 1.0 FE3 X:SF4701 2.7 12.7 1.0 FE1 X:SF4701 2.7 13.0 1.0 FE2 X:SF4701 2.8 13.0 1.0 H X:CYS70 3.1 15.5 1.0 HB3 X:CYS70 3.2 16.6 1.0 CB X:CYS70 3.4 13.8 1.0 HH22 X:ARG80 3.4 16.1 1.0 N X:CYS70 3.9 12.9 1.0 HB2 X:ALA72 3.9 18.8 1.0 S4 X:SF4701 3.9 12.6 1.0 HB3 X:ALA72 3.9 18.8 1.0 HG2 X:MET199 4.0 16.6 1.0 HB2 X:CYS70 4.1 16.6 1.0 O X:HOH1058 4.1 13.7 1.0 NH2 X:ARG80 4.2 13.4 1.0 CA X:CYS70 4.3 13.4 1.0 H X:ALA72 4.3 17.0 1.0 HA3 X:GLY68 4.3 14.5 1.0 H X:ILE69 4.3 15.4 1.0 HG3 X:MET199 4.4 16.6 1.0 CB X:ALA72 4.4 15.7 1.0 HH12 X:ARG80 4.5 16.9 1.0 HH21 X:ARG80 4.5 16.1 1.0 CG X:MET199 4.6 13.9 1.0 HB X:ILE69 4.6 16.2 1.0 N X:ILE69 4.7 12.8 1.0 SG X:CYS51 4.7 12.8 1.0 SG X:CYS48 4.8 12.6 1.0 SG X:CYS56 4.8 13.3 1.0 HE21 X:GLN53 4.9 19.1 1.0 HA X:CYS70 5.0 16.0 1.0 HB1 X:ALA72 5.0 18.8 1.0

Iron binding site 5 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe702 b:14.2 occ:1.00 FE1 X:FES702 0.0 14.2 1.0 S1 X:FES702 2.3 14.3 1.0 S2 X:FES702 2.3 14.3 1.0 SG X:CYS47 2.3 13.5 1.0 FE2 X:FES702 2.7 14.1 1.0 HB2 X:CYS47 3.1 17.0 1.0 CB X:CYS47 3.2 14.2 1.0 HB3 X:CYS47 3.5 17.0 1.0 O X:HOH1154 3.6 17.7 1.0 HB2 X:PHE41 4.1 17.1 1.0 HD2 X:ARG49 4.3 18.6 1.0 HB2 X:PRO55 4.5 17.1 1.0 CA X:CYS47 4.6 11.8 1.0 H X:GLY42 4.7 17.9 1.0 HA X:CYS47 4.7 14.2 1.0 SG X:CYS39 4.7 15.4 1.0 HB3 X:ARG57 4.8 21.0 1.0 HB3 X:PHE41 4.8 17.1 1.0 HB3 X:PRO55 4.8 17.1 1.0 HG3 X:ARG49 4.8 16.0 1.0 CB X:PHE41 4.9 14.2 1.0 N X:GLY42 4.9 14.9 1.0 HA2 X:GLY42 4.9 18.5 1.0

Iron binding site 6 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe702 b:14.1 occ:1.00 FE2 X:FES702 0.0 14.1 1.0 S2 X:FES702 2.2 14.3 1.0 S1 X:FES702 2.3 14.3 1.0 SG X:CYS39 2.3 15.4 1.0 FE1 X:FES702 2.7 14.2 1.0 CB X:CYS39 3.2 14.9 1.0 HB3 X:CYS39 3.2 17.9 1.0 HB2 X:CYS39 3.3 17.9 1.0 HB2 X:PHE41 3.4 17.1 1.0 H X:GLY42 3.5 17.9 1.0 HD2 X:PHE41 3.9 20.7 1.0 N X:GLY42 4.2 14.9 1.0 HA3 X:GLY42 4.3 18.5 1.0 CB X:PHE41 4.4 14.2 1.0 HB2 X:CYS47 4.5 17.0 1.0 CA X:CYS39 4.6 15.0 1.0 H X:PHE41 4.7 17.0 1.0 CD2 X:PHE41 4.7 17.2 1.0 CA X:GLY42 4.7 15.4 1.0 SG X:CYS47 4.8 13.5 1.0 HB3 X:PHE41 4.8 17.1 1.0 HA X:CYS39 4.9 18.0 1.0 HA2 X:GLY42 5.0 18.5 1.0

Iron binding site 7 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe703 b:18.9 occ:0.48 FE1 X:SF4703 0.0 18.9 0.5 SG X:CYS333 2.0 25.8 1.0 HE1 X:HIS261 2.2 36.5 1.0 S4 X:SF4703 2.2 20.1 0.5 S3 X:SF4703 2.3 19.7 0.6 S2 X:SF4703 2.3 22.0 0.7 FE3 X:SF4703 2.5 19.9 0.6 FE4 X:SF4703 2.7 20.2 0.6 HB3 X:CYS333 2.7 27.6 1.0 CB X:CYS333 2.8 23.0 1.0 HB2 X:CYS333 2.9 27.6 1.0 CE1 X:HIS261 3.0 30.4 1.0 FE2 X:SF4703 3.1 26.1 0.5 O X:HOH1206 3.2 38.6 1.0 HE2 X:HIS261 3.3 37.2 1.0 HE2 X:HIS563 3.5 31.1 0.5 NE2 X:HIS261 3.5 31.0 1.0 FE2 X:SF4703 3.7 20.8 0.6 S1 X:SF4703 3.7 20.5 0.6 SG X:CYS294 3.7 21.9 0.4 NE2 X:HIS563 4.1 25.9 0.5 CA X:CYS333 4.2 19.6 1.0 HD2 X:HIS563 4.2 18.8 0.5 ND1 X:HIS261 4.2 26.4 1.0 HB2 X:HIS561 4.2 14.8 1.0 HA X:CYS333 4.3 23.6 1.0 HE1 X:MET560 4.4 20.2 1.0 HE1 X:HIS563 4.4 29.7 0.5 HE3 X:MET560 4.5 20.2 1.0 SG X:CYS446 4.5 19.1 1.0 CE1 X:HIS563 4.6 24.7 0.5 O X:HOH899 4.7 21.2 1.0 HB3 X:CYS294 4.7 21.9 0.6 HB3 X:HIS561 4.8 14.8 1.0 N X:CYS333 4.8 19.9 1.0 SG X:CYS294 4.8 19.1 0.6 HD2 X:HIS561 4.8 16.6 1.0 HB3 X:CYS446 4.8 19.0 1.0 CB X:HIS561 4.9 12.3 1.0 CD2 X:HIS261 4.9 28.9 1.0 CE X:MET560 4.9 16.9 1.0 SG X:CYS476 4.9 28.4 1.0 HB3 X:GLN332 4.9 24.8 0.3 HB3 X:GLN332 5.0 27.9 0.7

Iron binding site 8 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe703 b:26.1 occ:0.45 FE2 X:SF4703 0.0 26.1 0.5 FE2 X:SF4703 0.9 20.8 0.6 HE2 X:HIS261 2.1 37.2 1.0 S1 X:SF4703 2.2 20.5 0.6 S3 X:SF4703 2.3 19.7 0.6 SG X:CYS526 2.4 19.0 1.0 SG X:CYS295 2.7 15.3 0.4 S4 X:SF4703 2.8 20.1 0.5 FE4 X:SF4703 2.8 20.2 0.6 NE2 X:HIS261 2.8 31.0 1.0 SG X:CYS295 2.9 16.9 0.6 FE1 X:SF4703 3.1 18.9 0.5 FE3 X:SF4703 3.1 19.9 0.6 HE2 X:HIS563 3.2 31.1 0.5 HE1 X:HIS261 3.4 36.5 1.0 CE1 X:HIS261 3.5 30.4 1.0 HB2 X:CYS526 3.6 21.2 1.0 HB2 X:CYS295 3.7 20.4 0.6 CB X:CYS526 3.7 17.7 1.0 HA3 X:GLY475 4.0 18.7 1.0 HB2 X:CYS295 4.0 19.3 0.4 CD2 X:HIS261 4.0 28.9 1.0 CB X:CYS295 4.0 17.0 0.6 O X:HOH1028 4.0 32.6 1.0 H X:CYS476 4.0 19.2 1.0 NE2 X:HIS563 4.0 25.9 0.5 HA2 X:GLY475 4.0 18.7 1.0 CB X:CYS295 4.0 16.1 0.4 H X:CYS526 4.1 17.6 1.0 HD2 X:HIS261 4.2 34.7 1.0 S2 X:SF4703 4.2 22.0 0.7 HB3 X:CYS526 4.3 21.2 1.0 O X:HOH1206 4.3 38.6 1.0 O X:HOH1191 4.3 32.7 1.0 CA X:GLY475 4.4 15.6 1.0 H X:CYS295 4.6 20.8 0.4 SG X:CYS294 4.6 21.9 0.4 SG X:CYS476 4.6 28.4 1.0 H X:CYS295 4.6 20.9 0.6 HB3 X:CYS295 4.6 20.4 0.6 N X:CYS476 4.6 16.0 1.0 ND1 X:HIS261 4.7 26.4 1.0 N X:CYS526 4.7 14.7 1.0 HD2 X:HIS563 4.7 18.8 0.5 HB3 X:CYS295 4.7 19.3 0.4 CA X:CYS526 4.8 15.0 1.0 HA X:CYS295 4.8 20.2 0.4 HE1 X:HIS563 4.8 29.7 0.5 SG X:CYS333 4.8 25.8 1.0 CE1 X:HIS563 4.9 24.7 0.5 CA X:CYS295 4.9 16.8 0.4 N X:CYS295 4.9 17.4 0.4 N X:CYS295 4.9 17.4 0.6 CG X:HIS261 5.0 26.4 1.0 HA X:CYS526 5.0 18.0 1.0 CD2 X:HIS563 5.0 22.8 0.5 C X:GLY475 5.0 16.0 1.0 CA X:CYS295 5.0 17.0 0.6

Iron binding site 9 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe703 b:20.8 occ:0.55 FE2 X:SF4703 0.0 20.8 0.6 FE2 X:SF4703 0.9 26.1 0.5 HE2 X:HIS261 1.7 37.2 1.0 SG X:CYS295 1.8 15.3 0.4 SG X:CYS295 2.3 16.9 0.6 SG X:CYS526 2.4 19.0 1.0 NE2 X:HIS261 2.4 31.0 1.0 S3 X:SF4703 2.6 19.7 0.6 S1 X:SF4703 3.0 20.5 0.6 HB2 X:CYS295 3.0 20.4 0.6 HB2 X:CYS526 3.0 21.2 1.0 CB X:CYS295 3.2 17.0 0.6 CB X:CYS526 3.3 17.7 1.0 CE1 X:HIS261 3.3 30.4 1.0 CB X:CYS295 3.3 16.1 0.4 HB2 X:CYS295 3.3 19.3 0.4 S4 X:SF4703 3.3 20.1 0.5 CD2 X:HIS261 3.3 28.9 1.0 H X:CYS526 3.4 17.6 1.0 HE2 X:HIS563 3.4 31.1 0.5 HE1 X:HIS261 3.4 36.5 1.0 FE4 X:SF4703 3.5 20.2 0.6 HD2 X:HIS261 3.5 34.7 1.0 FE1 X:SF4703 3.7 18.9 0.5 HB3 X:CYS295 3.8 20.4 0.6 HA2 X:GLY475 3.8 18.7 1.0 HB3 X:CYS295 3.9 19.3 0.4 O X:HOH1028 3.9 32.6 1.0 HB3 X:CYS526 4.0 21.2 1.0 FE3 X:SF4703 4.0 19.9 0.6 HA3 X:GLY475 4.0 18.7 1.0 N X:CYS526 4.0 14.7 1.0 NE2 X:HIS563 4.1 25.9 0.5 H X:CYS295 4.2 20.8 0.4 CA X:CYS526 4.2 15.0 1.0 H X:CYS295 4.2 20.9 0.6 HA X:CYS295 4.2 20.2 0.4 CA X:CYS295 4.3 16.8 0.4 ND1 X:HIS261 4.3 26.4 1.0 CA X:GLY475 4.4 15.6 1.0 CA X:CYS295 4.4 17.0 0.6 CG X:HIS261 4.4 26.4 1.0 H X:CYS476 4.4 19.2 1.0 O X:HOH1096 4.5 17.7 1.0 N X:CYS295 4.5 17.4 0.4 N X:CYS295 4.5 17.4 0.6 HA X:CYS526 4.6 18.0 1.0 HA X:CYS295 4.6 20.4 0.6 SG X:CYS294 4.7 21.9 0.4 HE1 X:HIS563 4.7 29.7 0.5 O X:HOH1191 4.8 32.7 1.0 O X:HOH1206 4.8 38.6 1.0 HD2 X:HIS563 4.8 18.8 0.5 CE1 X:HIS563 4.8 24.7 0.5 HB2 X:SER525 4.9 17.4 1.0 N X:CYS476 5.0 16.0 1.0

Iron binding site 10 out of 11 in the K563H Mutant of Recombinant Codh-II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of K563H Mutant of Recombinant Codh-II within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe703 b:19.9 occ:0.61 FE3 X:SF4703 0.0 19.9 0.6 S4 X:SF4703 2.2 20.1 0.5 S1 X:SF4703 2.2 20.5 0.6 S2 X:SF4703 2.3 22.0 0.7 SG X:CYS446 2.4 19.1 1.0 FE1 X:SF4703 2.5 18.9 0.5 FE4 X:SF4703 2.7 20.2 0.6 FE2 X:SF4703 3.1 26.1 0.5 HA X:CYS446 3.2 18.3 1.0 HB3 X:CYS446 3.3 19.0 1.0 CB X:CYS446 3.3 15.9 1.0 CA X:CYS446 3.5 15.2 1.0 HE2 X:HIS563 3.6 31.1 0.5 N X:CYS446 3.7 15.1 1.0 S3 X:SF4703 3.8 19.7 0.6 HB2 X:HIS561 3.9 14.8 1.0 O X:HOH1191 3.9 32.7 1.0 FE2 X:SF4703 4.0 20.8 0.6 SG X:CYS333 4.0 25.8 1.0 HE3 X:MET560 4.0 20.2 1.0 H X:CYS446 4.0 18.1 1.0 HB3 X:HIS561 4.1 14.8 1.0 C X:GLY445 4.1 16.5 1.0 HA2 X:GLY445 4.1 19.6 1.0 HB2 X:CYS446 4.2 19.0 1.0 HB2 X:CYS476 4.3 27.6 1.0 NE2 X:HIS563 4.3 25.9 0.5 H X:HIS561 4.3 16.3 1.0 O X:HOH1206 4.4 38.6 1.0 HE2 X:HIS261 4.4 37.2 1.0 SG X:CYS526 4.4 19.0 1.0 CB X:HIS561 4.4 12.3 1.0 HE1 X:HIS261 4.5 36.5 1.0 O X:GLY445 4.5 19.4 1.0 HB2 X:ALA564 4.5 19.8 1.0 H X:CYS476 4.6 19.2 1.0 CA X:GLY445 4.6 16.4 1.0 HD2 X:HIS563 4.6 27.4 0.5 SG X:CYS476 4.7 28.4 1.0 HE1 X:MET560 4.7 20.2 1.0 HG X:SER312 4.7 23.2 1.0 HB3 X:CYS333 4.7 27.6 1.0 CE X:MET560 4.8 16.9 1.0 HB3 X:MET560 4.8 16.7 1.0 CD2 X:HIS563 4.8 22.8 0.5 HD2 X:HIS563 4.9 18.8 0.5 HB2 X:HIS563 5.0 19.1 0.5 NE2 X:HIS261 5.0 31.0 1.0

Y.Basak, J.H.Jeoung, L.Domnik, J.Ruickoldt, H.Dobbek. Substrate Activation at the Ni,Fe Cluster of Co Dehydrogenases: the Influence of the Protein Matrix Acs Catalysis 2022.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.2C02922