Iron in PDB 8on3: Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure

All present enzymatic activity of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure:
1.2.7.4;

The structure of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure, PDB code: 8on3 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)	32.79 / 1.74
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.92, 75.25, 70.87, 90, 111.09, 90
R / Rfree (%)	18.7 / 22.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Iron atom in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure (pdb code 8on3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 13 binding sites of Iron where determined in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure, PDB code: 8on3:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:14.8 occ:0.97 FE1 X:SF41001 0.0 14.8 1.0 S3 X:SF41001 2.2 13.8 1.0 S2 X:SF41001 2.2 12.9 1.0 S4 X:SF41001 2.3 14.3 1.0 SG X:CYS56 2.4 14.9 1.0 FE3 X:SF41001 2.6 13.8 1.0 FE4 X:SF41001 2.7 14.1 1.0 FE2 X:SF41001 2.7 13.2 1.0 HB2 X:CYS56 2.9 15.1 1.0 CB X:CYS56 3.2 13.7 1.0 H X:ILE69 3.4 12.3 1.0 HB X:ILE69 3.5 18.4 1.0 HB3 X:CYS56 3.7 15.1 1.0 S1 X:SF41001 3.8 14.5 1.0 H X:CYS70 4.0 17.0 1.0 H X:CYS56 4.1 12.9 1.0 HA3 X:GLY54 4.1 13.4 1.0 N X:ILE69 4.1 10.4 1.0 HB3 X:CYS48 4.1 15.9 1.0 HA2 X:GLY54 4.1 13.4 1.0 HD12 X:ILE69 4.2 18.4 1.0 HA3 X:GLY68 4.3 19.9 1.0 CA X:CYS56 4.4 13.3 1.0 N X:CYS56 4.4 11.7 1.0 CB X:ILE69 4.4 15.4 1.0 HB2 X:GLN53 4.4 29.2 1.0 CA X:GLY54 4.4 11.6 1.0 HA2 X:GLY68 4.5 19.9 1.0 N X:GLY54 4.5 12.9 1.0 O X:CYS48 4.6 12.4 1.0 H X:GLY54 4.6 15.0 1.0 SG X:CYS48 4.6 11.9 1.0 HG13 X:ILE69 4.6 15.5 1.0 SG X:CYS51 4.8 15.4 1.0 N X:CYS70 4.8 14.8 1.0 CA X:GLY68 4.8 17.9 1.0 SG X:CYS70 4.8 14.9 1.0 HA X:CYS56 4.8 14.7 1.0 CA X:ILE69 4.8 17.2 1.0 CB X:CYS48 4.9 14.4 1.0 C X:GLY68 4.9 14.5 1.0 CG1 X:ILE69 4.9 13.1 1.0 CD1 X:ILE69 5.0 15.4 1.0 HE21 X:GLN53 5.0 21.4 1.0 C X:GLN53 5.0 11.8 1.0

Iron binding site 2 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:13.2 occ:0.97 FE2 X:SF41001 0.0 13.2 1.0 S4 X:SF41001 2.2 14.3 1.0 S3 X:SF41001 2.3 13.8 1.0 S1 X:SF41001 2.3 14.5 1.0 SG X:CYS70 2.4 14.9 1.0 FE1 X:SF41001 2.7 14.8 1.0 FE3 X:SF41001 2.7 13.8 1.0 FE4 X:SF41001 2.7 14.1 1.0 H X:CYS70 3.1 17.0 1.0 HB3 X:CYS70 3.2 14.9 1.0 HH22 X:ARG80 3.4 13.0 1.0 CB X:CYS70 3.4 12.9 1.0 HB1 X:ALA72 3.8 21.7 1.0 S2 X:SF41001 3.9 12.9 1.0 N X:CYS70 3.9 14.8 1.0 HG2 X:MET199 3.9 11.1 1.0 HB3 X:ALA72 4.0 21.7 1.0 HB2 X:CYS70 4.2 14.9 1.0 NH2 X:ARG80 4.2 11.1 1.0 O X:HOH1265 4.2 14.1 1.0 HG3 X:MET199 4.3 11.1 1.0 H X:ALA72 4.3 18.4 1.0 CA X:CYS70 4.3 15.6 1.0 CB X:ALA72 4.3 17.7 1.0 HA3 X:GLY68 4.4 19.9 1.0 H X:ILE69 4.5 12.3 1.0 HH21 X:ARG80 4.5 13.0 1.0 CG X:MET199 4.6 9.7 1.0 HB X:ILE69 4.6 18.4 1.0 HH12 X:ARG80 4.6 13.2 1.0 N X:ILE69 4.7 10.4 1.0 SG X:CYS48 4.7 11.9 1.0 SG X:CYS51 4.7 15.4 1.0 SG X:CYS56 4.8 14.9 1.0 HE21 X:GLN53 4.8 21.4 1.0 HB2 X:MET199 4.9 14.1 1.0 HB2 X:ALA72 5.0 21.7 1.0

Iron binding site 3 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:13.8 occ:0.97 FE3 X:SF41001 0.0 13.8 1.0 S1 X:SF41001 2.2 14.5 1.0 SG X:CYS48 2.3 11.9 1.0 S2 X:SF41001 2.3 12.9 1.0 S4 X:SF41001 2.3 14.3 1.0 FE1 X:SF41001 2.6 14.8 1.0 FE4 X:SF41001 2.7 14.1 1.0 FE2 X:SF41001 2.7 13.2 1.0 HB3 X:CYS48 3.0 15.9 1.0 H X:HIS50 3.3 12.9 1.0 CB X:CYS48 3.3 14.4 1.0 HH22 X:ARG80 3.4 13.0 1.0 HB2 X:HIS50 3.4 17.0 1.0 HH21 X:ARG80 3.7 13.0 1.0 NH2 X:ARG80 3.8 11.1 1.0 S3 X:SF41001 3.8 13.8 1.0 HB2 X:CYS56 3.9 15.1 1.0 HB2 X:CYS48 3.9 15.9 1.0 N X:HIS50 4.0 11.3 1.0 H X:CYS51 4.0 15.1 1.0 O X:CYS48 4.1 12.4 1.0 C X:CYS48 4.1 11.7 1.0 CB X:HIS50 4.3 14.8 1.0 CA X:CYS48 4.3 12.7 1.0 N X:CYS51 4.5 13.3 1.0 CA X:HIS50 4.6 14.4 1.0 N X:ARG49 4.6 15.4 1.0 SG X:CYS56 4.7 14.9 1.0 CB X:CYS56 4.7 13.7 1.0 HA X:ARG49 4.7 23.3 1.0 HG12 X:ILE77 4.7 12.9 1.0 C X:HIS50 4.8 11.0 1.0 HB1 X:ALA72 4.8 21.7 1.0 H X:CYS56 4.8 12.9 1.0 HA X:CYS48 4.8 14.0 1.0 CZ X:ARG80 4.9 12.9 1.0 C X:ARG49 4.9 13.7 1.0 SG X:CYS70 4.9 14.9 1.0 HB3 X:HIS50 4.9 17.0 1.0 SG X:CYS51 4.9 15.4 1.0

Iron binding site 4 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:14.1 occ:0.97 FE4 X:SF41001 0.0 14.1 1.0 S2 X:SF41001 2.2 12.9 1.0 S1 X:SF41001 2.3 14.5 1.0 S3 X:SF41001 2.3 13.8 1.0 SG X:CYS51 2.4 15.4 1.0 FE1 X:SF41001 2.7 14.8 1.0 FE3 X:SF41001 2.7 13.8 1.0 FE2 X:SF41001 2.7 13.2 1.0 H X:CYS51 3.2 15.1 1.0 HB3 X:CYS51 3.4 16.7 1.0 CB X:CYS51 3.4 14.9 1.0 HB2 X:GLN53 3.6 29.2 1.0 N X:CYS51 3.6 13.3 1.0 HG3 X:MET199 3.7 11.1 1.0 S4 X:SF41001 3.9 14.3 1.0 CA X:CYS51 3.9 14.4 1.0 HB2 X:MET199 4.1 14.1 1.0 H X:GLY54 4.1 15.0 1.0 HE21 X:GLN53 4.1 21.4 1.0 O X:CYS51 4.2 13.1 1.0 H X:GLN53 4.2 15.2 1.0 C X:CYS51 4.3 17.4 1.0 HB2 X:CYS51 4.3 16.7 1.0 C X:HIS50 4.3 11.0 1.0 HG2 X:MET199 4.4 11.1 1.0 CG X:MET199 4.4 9.7 1.0 H X:HIS50 4.4 12.9 1.0 N X:GLY54 4.5 12.9 1.0 HB2 X:HIS50 4.5 17.0 1.0 CB X:GLN53 4.5 24.7 1.0 HA3 X:GLY54 4.6 13.4 1.0 HB3 X:CYS70 4.6 14.9 1.0 SG X:CYS48 4.7 11.9 1.0 N X:HIS50 4.8 11.3 1.0 CB X:MET199 4.8 11.9 1.0 HA X:CYS51 4.8 16.2 1.0 SG X:CYS70 4.8 14.9 1.0 N X:GLN53 4.9 12.7 1.0 SG X:CYS56 4.9 14.9 1.0 HB3 X:GLN53 4.9 29.2 1.0 HB X:ILE69 4.9 18.4 1.0 NE2 X:GLN53 5.0 18.4 1.0 C X:GLN53 5.0 11.8 1.0 CA X:HIS50 5.0 14.4 1.0 O X:HIS50 5.0 12.8 1.0 H X:CYS70 5.0 17.0 1.0

Iron binding site 5 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1002 b:16.8 occ:1.00 FE1 X:FES1002 0.0 16.8 1.0 S1 X:FES1002 2.2 15.9 1.0 S2 X:FES1002 2.2 16.6 1.0 SG X:CYS47 2.3 15.5 1.0 FE2 X:FES1002 2.6 15.5 1.0 HB2 X:CYS47 3.1 20.3 1.0 CB X:CYS47 3.2 16.5 1.0 HB3 X:CYS47 3.5 20.3 1.0 O X:HOH1429 3.8 24.4 1.0 HB2 X:PHE41 4.1 19.4 1.0 HD2 X:ARG49 4.3 23.0 1.0 HB2 X:PRO55 4.5 21.7 1.0 H X:GLY42 4.5 20.8 1.0 CA X:CYS47 4.6 11.7 1.0 HA X:CYS47 4.7 14.5 1.0 SG X:CYS39 4.8 15.9 1.0 HG3 X:ARG49 4.8 15.2 1.0 HB3 X:ARG57 4.8 16.6 1.0 N X:GLY42 4.9 17.8 1.0 HA2 X:GLY42 4.9 11.4 1.0 HB3 X:PHE41 4.9 19.4 1.0 CB X:PHE41 4.9 15.8 1.0

Iron binding site 6 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1002 b:15.5 occ:1.00 FE2 X:FES1002 0.0 15.5 1.0 S2 X:FES1002 2.2 16.6 1.0 S1 X:FES1002 2.2 15.9 1.0 SG X:CYS39 2.4 15.9 1.0 FE1 X:FES1002 2.6 16.8 1.0 HB3 X:CYS39 3.2 24.5 1.0 CB X:CYS39 3.2 21.0 1.0 HB2 X:CYS39 3.3 24.5 1.0 H X:GLY42 3.3 20.8 1.0 HB2 X:PHE41 3.5 19.4 1.0 H42 X:PEG1005 3.6 38.9 0.7 HD2 X:PHE41 3.8 19.5 1.0 N X:GLY42 4.1 17.8 1.0 H41 X:PEG1005 4.3 38.9 0.7 HA3 X:GLY42 4.3 11.4 1.0 C4 X:PEG1005 4.4 32.4 0.7 HB2 X:CYS47 4.4 20.3 1.0 CB X:PHE41 4.4 15.8 1.0 H X:PHE41 4.6 19.1 1.0 CD2 X:PHE41 4.6 16.2 1.0 CA X:GLY42 4.7 9.8 1.0 CA X:CYS39 4.7 15.1 1.0 HO4 X:PEG1005 4.7 41.4 0.7 SG X:CYS47 4.7 15.5 1.0 HA2 X:GLY42 4.8 11.4 1.0 HB3 X:PHE41 4.9 19.4 1.0 CB X:CYS47 4.9 16.5 1.0 C X:PHE41 5.0 12.5 1.0 HB3 X:CYS47 5.0 20.3 1.0 HA X:CYS39 5.0 17.1 1.0

Iron binding site 7 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1003 b:34.5 occ:0.47 FE2 X:VV21003 0.0 34.5 0.5 S2 X:VV21003 2.0 35.1 0.7 FE4 X:VV21003 2.3 34.3 0.5 FE3 X:VV21003 2.3 32.9 0.6 SG X:CYS333 2.4 25.4 1.0 O X:HOH1418 2.4 25.7 1.0 S3 X:VV21003 2.5 34.0 0.5 FE X:FE21004 2.7 33.4 0.5 FE X:FE1006 2.9 32.6 0.6 HE1 X:HIS261 2.9 30.7 1.0 HB3 X:CYS333 3.0 25.1 1.0 FE X:FE21004 3.0 34.1 0.4 CB X:CYS333 3.2 20.8 1.0 S4 X:VV21003 3.2 32.6 0.7 FE5 X:VV21003 3.4 37.1 0.6 HB2 X:CYS333 3.5 25.1 1.0 HZ3 X:LYS563 3.5 36.2 1.0 CE1 X:HIS261 3.6 25.4 1.0 HZ1 X:LYS563 3.8 36.2 1.0 O X:HOH1103 3.8 21.1 0.5 NE2 X:HIS261 3.9 34.1 1.0 HE1 X:MET560 4.0 19.7 1.0 NZ X:LYS563 4.1 30.8 1.0 HB3 X:CYS446 4.2 17.3 1.0 HB2 X:HIS561 4.3 21.7 1.0 SG X:CYS446 4.5 21.6 1.0 HE3 X:MET560 4.5 19.7 1.0 CA X:CYS333 4.6 16.0 1.0 OD X:CSO294 4.6 26.5 0.6 HA X:CYS333 4.7 19.3 1.0 HA X:CYS446 4.7 20.4 1.0 HE3 X:LYS563 4.7 19.8 1.0 O X:HOH1254 4.7 25.1 1.0 HZ2 X:LYS563 4.7 36.2 1.0 CE X:MET560 4.7 17.2 1.0 O X:HOH1415 4.8 19.6 0.2 CB X:CYS446 4.8 15.1 1.0 SG X:CYS476 4.8 28.9 1.0 ND1 X:HIS261 4.9 25.0 1.0 HB2 X:CYS476 5.0 26.9 1.0

Iron binding site 8 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1003 b:34.3 occ:0.50 FE4 X:VV21003 0.0 34.3 0.5 S3 X:VV21003 1.6 34.0 0.5 FE2 X:VV21003 2.3 34.5 0.5 SG X:CYS446 2.4 21.6 1.0 S4 X:VV21003 2.5 32.6 0.7 S2 X:VV21003 2.6 35.1 0.7 FE5 X:VV21003 2.8 37.1 0.6 HB3 X:CYS446 3.0 17.3 1.0 CB X:CYS446 3.2 15.1 1.0 FE3 X:VV21003 3.3 32.9 0.6 HA X:CYS446 3.4 20.4 1.0 HB2 X:HIS561 3.5 21.7 1.0 CA X:CYS446 3.6 17.8 1.0 N X:CYS446 3.7 18.8 1.0 HB3 X:HIS561 3.9 21.7 1.0 H X:CYS446 3.9 21.6 1.0 FE X:FE21004 4.0 34.1 0.4 H X:HIS561 4.0 17.3 1.0 HA2 X:GLY445 4.1 28.2 1.0 HB2 X:CYS446 4.1 17.3 1.0 HE3 X:MET560 4.1 19.7 1.0 SG X:CYS333 4.1 25.4 1.0 O X:HOH1415 4.1 19.6 0.2 CB X:HIS561 4.1 18.5 1.0 C X:GLY445 4.2 19.9 1.0 HE1 X:MET560 4.2 19.7 1.0 FE X:FE21004 4.2 33.4 0.5 O X:HOH1103 4.3 21.1 0.5 HZ1 X:LYS563 4.3 36.2 1.0 O X:HOH1418 4.4 25.7 1.0 HB2 X:CYS476 4.4 26.9 1.0 HB2 X:ALA564 4.4 25.0 1.0 HB3 X:MET560 4.5 21.8 1.0 FE X:FE1006 4.5 32.6 0.6 CE X:MET560 4.6 17.2 1.0 O X:GLY445 4.6 20.8 1.0 CA X:GLY445 4.7 24.5 1.0 HZ3 X:LYS563 4.7 36.2 1.0 SG X:CYS526 4.7 23.0 0.5 N X:HIS561 4.8 14.9 1.0 HB3 X:CYS333 4.9 25.1 1.0 HE3 X:LYS563 4.9 19.8 1.0 HG X:CYS526 4.9 27.6 0.5 NZ X:LYS563 4.9 30.8 1.0 HB2 X:LYS563 4.9 19.6 1.0 H X:CYS476 5.0 25.1 1.0

Iron binding site 9 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1003 b:32.9 occ:0.55 FE3 X:VV21003 0.0 32.9 0.6 FE X:FE1006 1.6 32.6 0.6 O X:HOH1418 2.0 25.7 1.0 FE2 X:VV21003 2.3 34.5 0.5 S4 X:VV21003 2.5 32.6 0.7 S2 X:VV21003 2.5 35.1 0.7 SG X:CYS476 2.5 28.9 1.0 FE X:FE21004 2.7 34.1 0.4 FE X:FE21004 2.9 33.4 0.5 HB2 X:CYS476 3.1 26.9 1.0 FE4 X:VV21003 3.3 34.3 0.5 O X:HOH1389 3.4 27.5 1.0 CB X:CYS476 3.4 23.2 1.0 H X:CYS476 3.7 25.1 1.0 HA X:CYS446 3.8 20.4 1.0 HB2 X:SER312 3.9 25.0 1.0 HE1 X:HIS261 4.0 30.7 1.0 FE5 X:VV21003 4.1 37.1 0.6 SG X:CSO294 4.1 30.5 1.0 N X:CYS476 4.1 21.7 1.0 HB3 X:CYS476 4.2 26.9 1.0 HB3 X:CYS333 4.2 25.1 1.0 S3 X:VV21003 4.2 34.0 0.5 HA X:CSO294 4.3 21.0 1.0 HB3 X:CYS446 4.3 17.3 1.0 CA X:CYS476 4.4 19.1 1.0 SG X:CYS295 4.4 16.8 0.7 HB2 X:CSO294 4.4 30.7 1.0 H X:CYS295 4.5 22.5 0.3 HA X:SER312 4.5 26.9 1.0 OD X:CSO294 4.5 26.5 0.6 SG X:CYS333 4.5 25.4 1.0 H X:CYS295 4.6 22.5 0.7 HA X:CYS476 4.6 21.9 1.0 CE1 X:HIS261 4.6 25.4 1.0 HB2 X:CYS333 4.6 25.1 1.0 HG X:SER312 4.6 23.8 1.0 CB X:CYS333 4.6 20.8 1.0 CA X:CYS446 4.7 17.8 1.0 CB X:SER312 4.7 21.6 1.0 CB X:CSO294 4.7 25.6 1.0 H X:SER312 4.8 24.5 1.0 NE2 X:HIS261 4.8 34.1 1.0 O X:HOH1103 4.8 21.1 0.5 O X:GLY445 4.9 20.8 1.0 CB X:CYS446 4.9 15.1 1.0 OG X:SER312 4.9 20.5 1.0 N X:CYS295 4.9 18.8 0.3 CA X:CSO294 4.9 17.6 1.0 N X:CYS295 5.0 18.8 0.7 HA3 X:GLY475 5.0 23.2 1.0 CA X:SER312 5.0 23.3 1.0 C X:GLY475 5.0 16.9 1.0

Iron binding site 10 out of 13 in the Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Ni,Fe-Codh -320MV + Cn State : 24 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1003 b:37.1 occ:0.60 FE5 X:VV21003 0.0 37.1 0.6 O X:HOH1415 2.0 19.6 0.2 O X:HOH1103 2.0 21.1 0.5 SG X:CYS526 2.1 23.0 0.5 S3 X:VV21003 2.4 34.0 0.5 S4 X:VV21003 2.4 32.6 0.7 HG X:CYS526 2.6 27.6 0.5 HB2 X:CYS526 2.7 27.2 0.6 FE X:FE21004 2.7 34.1 0.4 FE4 X:VV21003 2.8 34.3 0.5 SG X:CYS526 2.9 25.0 0.6 HZ1 X:LYS563 2.9 36.2 1.0 HG X:CYS526 3.0 29.8 0.6 FE X:FE21004 3.1 33.4 0.5 CB X:CYS526 3.2 22.8 0.6 CB X:CYS526 3.2 22.8 0.5 HB2 X:CYS526 3.3 27.1 0.5 FE2 X:VV21003 3.4 34.5 0.5 HB3 X:CYS526 3.4 27.1 0.5 HB3 X:CYS526 3.6 27.2 0.6 NZ X:LYS563 3.8 30.8 1.0 NE2 X:HIS261 3.9 34.1 1.0 HZ3 X:LYS563 4.0 36.2 1.0 HA2 X:GLY445 4.1 28.2 1.0 FE3 X:VV21003 4.1 32.9 0.6 HZ2 X:LYS563 4.2 36.2 1.0 HB2 X:LYS563 4.4 19.6 1.0 O X:HOH1418 4.4 25.7 1.0 HE3 X:LYS563 4.4 19.8 1.0 HB3 X:LYS563 4.5 19.6 1.0 HD2 X:LYS563 4.5 20.5 1.0 SG X:CYS295 4.5 16.8 0.7 SG X:CYS295 4.5 15.7 0.3 CA X:CYS526 4.5 17.6 0.6 O X:HOH1226 4.5 19.1 1.0 CA X:CYS526 4.5 17.5 0.5 HA3 X:GLY475 4.6 23.2 1.0 HA X:CYS526 4.6 20.7 0.6 HA X:CYS526 4.6 20.7 0.5 HE1 X:HIS261 4.6 30.7 1.0 CE X:LYS563 4.6 17.1 1.0 CE1 X:HIS261 4.7 25.4 1.0 H X:CYS476 4.7 25.1 1.0 SG X:CYS446 4.8 21.6 1.0 H X:CYS526 4.8 16.7 0.5 H X:CYS526 4.8 16.7 0.6 CD2 X:HIS261 4.8 28.1 1.0 S2 X:VV21003 4.8 35.1 0.7 CA X:GLY445 4.9 24.5 1.0 H X:GLY445 4.9 22.7 1.0 HD2 X:HIS261 4.9 33.6 1.0 CB X:LYS563 4.9 17.2 1.0 SG X:CYS333 4.9 25.4 1.0 C X:GLY445 5.0 19.9 1.0 HB3 X:HIS561 5.0 21.7 1.0 HD12 X:ILE567 5.0 24.8 1.0

Y.Basak, J.H.Jeoung, L.Domnik, H.Dobbek. Stepwise O 2 -Induced Rearrangement and Disassembly of the [Nife 4 (Oh)( Mu 3 -S) 4 ] Active Site Cluster of Co Dehydrogenase. Angew.Chem.Int.Ed.Engl. V. 62 05341 2023.
ISSN: ESSN 1521-3773
PubMed: 37279092
DOI: 10.1002/ANIE.202305341