Iron in PDB 8on1: Ni,Fe-Codh -600MV State : 4 H Dioxygen Exposure

All present enzymatic activity of Ni,Fe-Codh -600MV State : 4 H Dioxygen Exposure:
1.2.7.4;

The structure of Ni,Fe-Codh -600MV State : 4 H Dioxygen Exposure, PDB code: 8on1 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)	35.30 / 1.37
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.41, 75.36, 71.35, 90, 111.44, 90
R / Rfree (%)	12.6 / 16.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iron atom in the Ni,Fe-Codh -600MV State : 4 H Dioxygen Exposure (pdb code 8on1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 14 binding sites of Iron where determined in the Ni,Fe-Codh -600MV State : 4 H Dioxygen Exposure, PDB code: 8on1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:12.8 occ:1.00 FE1 X:SF41001 0.0 12.8 1.0 S3 X:SF41001 2.2 12.8 1.0 S4 X:SF41001 2.2 12.7 1.0 S2 X:SF41001 2.3 12.8 1.0 SG X:CYS56 2.3 12.9 1.0 FE3 X:SF41001 2.6 12.4 1.0 FE2 X:SF41001 2.6 12.5 1.0 FE4 X:SF41001 2.7 12.7 1.0 HB2 X:CYS56 3.0 16.5 1.0 CB X:CYS56 3.3 13.8 1.0 H X:ILE69 3.3 15.0 1.0 HB X:ILE69 3.6 14.5 1.0 S1 X:SF41001 3.7 12.6 1.0 HB3 X:CYS56 3.8 16.5 1.0 HB3 X:CYS48 3.9 14.2 1.0 H X:CYS70 4.0 15.9 1.0 N X:ILE69 4.0 12.5 1.0 HA2 X:GLY54 4.1 17.6 1.0 HA3 X:GLY54 4.1 17.6 1.0 H X:CYS56 4.2 15.3 1.0 HA3 X:GLY68 4.2 13.6 1.0 CA X:GLY54 4.4 14.6 1.0 N X:CYS56 4.4 12.7 1.0 HB2 X:GLN53 4.4 15.9 1.0 CA X:CYS56 4.4 13.8 1.0 HD12 X:ILE69 4.4 16.9 1.0 CB X:ILE69 4.4 12.1 1.0 N X:GLY54 4.5 13.2 1.0 H X:GLY54 4.5 15.8 1.0 HG13 X:ILE69 4.6 16.1 1.0 HA2 X:GLY68 4.6 13.6 1.0 O X:CYS48 4.6 12.2 1.0 SG X:CYS51 4.6 12.2 1.0 SG X:CYS48 4.6 11.8 1.0 CB X:CYS48 4.7 11.8 1.0 SG X:CYS70 4.7 12.4 1.0 CA X:GLY68 4.7 11.3 1.0 N X:CYS70 4.8 13.2 1.0 CA X:ILE69 4.8 12.6 1.0 C X:GLY68 4.8 12.8 1.0 HA X:CYS56 4.9 16.5 1.0 CG1 X:ILE69 4.9 13.4 1.0 HE21 X:GLN53 5.0 20.7 1.0

Iron binding site 2 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:12.5 occ:1.00 FE2 X:SF41001 0.0 12.5 1.0 S4 X:SF41001 2.2 12.7 1.0 S3 X:SF41001 2.2 12.8 1.0 S1 X:SF41001 2.3 12.6 1.0 SG X:CYS51 2.3 12.2 1.0 FE1 X:SF41001 2.6 12.8 1.0 FE3 X:SF41001 2.6 12.4 1.0 FE4 X:SF41001 2.7 12.7 1.0 H X:CYS51 3.3 12.9 1.0 HB3 X:CYS51 3.3 14.4 1.0 CB X:CYS51 3.4 12.0 1.0 N X:CYS51 3.6 10.8 1.0 HB2 X:GLN53 3.7 15.9 1.0 HG3 X:MET199 3.7 14.8 1.0 S2 X:SF41001 3.8 12.8 1.0 CA X:CYS51 3.9 12.6 1.0 H X:GLY54 4.0 15.8 1.0 HE21 X:GLN53 4.1 20.7 1.0 H X:GLN53 4.2 16.5 1.0 HB2 X:CYS51 4.2 14.4 1.0 O X:CYS51 4.2 13.5 1.0 HG2 X:MET199 4.2 14.8 1.0 C X:CYS51 4.3 12.6 1.0 HB2 X:MET199 4.3 13.8 1.0 CG X:MET199 4.4 12.3 1.0 C X:HIS50 4.4 11.5 1.0 N X:GLY54 4.4 13.2 1.0 HB2 X:HIS50 4.5 14.6 1.0 H X:HIS50 4.5 14.0 1.0 HB3 X:CYS70 4.6 15.3 1.0 HA3 X:GLY54 4.6 17.6 1.0 CB X:GLN53 4.6 13.3 1.0 SG X:CYS70 4.8 12.4 1.0 SG X:CYS48 4.8 11.8 1.0 N X:HIS50 4.8 11.6 1.0 HA X:CYS51 4.8 15.2 1.0 SG X:CYS56 4.8 12.9 1.0 H X:CYS70 4.9 15.9 1.0 N X:GLN53 4.9 13.8 1.0 CB X:MET199 4.9 11.5 1.0 HB X:ILE69 4.9 14.5 1.0 NE2 X:GLN53 4.9 17.2 1.0 CA X:GLY54 4.9 14.6 1.0 CA X:HIS50 5.0 12.1 1.0 HH22 X:ARG80 5.0 16.8 1.0

Iron binding site 3 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:12.4 occ:1.00 FE3 X:SF41001 0.0 12.4 1.0 S1 X:SF41001 2.2 12.6 1.0 S4 X:SF41001 2.2 12.7 1.0 S2 X:SF41001 2.3 12.8 1.0 SG X:CYS48 2.3 11.8 1.0 FE1 X:SF41001 2.6 12.8 1.0 FE2 X:SF41001 2.6 12.5 1.0 FE4 X:SF41001 2.7 12.7 1.0 HB3 X:CYS48 3.0 14.2 1.0 HH22 X:ARG80 3.2 16.8 1.0 CB X:CYS48 3.2 11.8 1.0 H X:HIS50 3.3 14.0 1.0 HB2 X:HIS50 3.4 14.6 1.0 HH21 X:ARG80 3.6 16.8 1.0 NH2 X:ARG80 3.7 14.0 1.0 S3 X:SF41001 3.8 12.8 1.0 HB2 X:CYS48 3.9 14.2 1.0 HB2 X:CYS56 4.0 16.5 1.0 N X:HIS50 4.0 11.6 1.0 H X:CYS51 4.0 12.9 1.0 O X:CYS48 4.2 12.2 1.0 C X:CYS48 4.2 11.5 1.0 CB X:HIS50 4.3 12.1 1.0 CA X:CYS48 4.3 11.9 1.0 N X:CYS51 4.5 10.8 1.0 CA X:HIS50 4.5 12.1 1.0 N X:ARG49 4.6 12.1 1.0 SG X:CYS56 4.7 12.9 1.0 HG12 X:ILE77 4.7 16.8 1.0 CB X:CYS56 4.7 13.8 1.0 HA X:CYS48 4.8 14.3 1.0 C X:HIS50 4.8 11.5 1.0 CZ X:ARG80 4.8 11.5 1.0 SG X:CYS70 4.8 12.4 1.0 HB3 X:HIS50 4.9 14.6 1.0 SG X:CYS51 4.9 12.2 1.0 HA X:ARG49 4.9 15.0 1.0 H X:CYS56 4.9 15.3 1.0 C X:ARG49 4.9 12.8 1.0 H X:ARG49 4.9 14.5 1.0 HB3 X:ALA72 5.0 16.7 1.0

Iron binding site 4 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:12.7 occ:1.00 FE4 X:SF41001 0.0 12.7 1.0 S2 X:SF41001 2.2 12.8 1.0 S1 X:SF41001 2.3 12.6 1.0 S3 X:SF41001 2.3 12.8 1.0 SG X:CYS70 2.3 12.4 1.0 FE3 X:SF41001 2.7 12.4 1.0 FE1 X:SF41001 2.7 12.8 1.0 FE2 X:SF41001 2.7 12.5 1.0 H X:CYS70 3.1 15.9 1.0 HB3 X:CYS70 3.2 15.3 1.0 HH22 X:ARG80 3.4 16.8 1.0 CB X:CYS70 3.4 12.7 1.0 S4 X:SF41001 3.8 12.7 1.0 N X:CYS70 3.9 13.2 1.0 HG2 X:MET199 3.9 14.8 1.0 HB2 X:ALA72 3.9 16.7 1.0 HB3 X:ALA72 4.0 16.7 1.0 HB2 X:CYS70 4.1 15.3 1.0 O X:HOH1394 4.2 13.3 1.0 NH2 X:ARG80 4.2 14.0 1.0 CA X:CYS70 4.3 12.3 1.0 H X:ALA72 4.3 16.5 1.0 H X:ILE69 4.3 15.0 1.0 HA3 X:GLY68 4.4 13.6 1.0 HG3 X:MET199 4.4 14.8 1.0 CB X:ALA72 4.5 13.9 1.0 HH21 X:ARG80 4.5 16.8 1.0 HH12 X:ARG80 4.6 14.5 1.0 CG X:MET199 4.6 12.3 1.0 N X:ILE69 4.6 12.5 1.0 SG X:CYS51 4.6 12.2 1.0 HB X:ILE69 4.7 14.5 1.0 SG X:CYS56 4.7 12.9 1.0 SG X:CYS48 4.8 11.8 1.0 HE21 X:GLN53 4.9 20.7 1.0 HB3 X:CYS48 5.0 14.2 1.0

Iron binding site 5 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1002 b:17.8 occ:0.59 FE1 X:FES1002 0.0 17.8 0.6 SG X:CYS47 2.2 19.8 1.0 S1 X:FES1002 2.3 16.4 0.6 S2 X:FES1002 2.3 17.9 0.6 FE2 X:FES1002 2.7 17.2 0.6 HB2 X:CYS47 3.1 19.8 1.0 CB X:CYS47 3.2 16.5 1.0 O X:HOH1531 3.4 28.1 1.0 HB3 X:CYS47 3.6 19.8 1.0 HD2 X:ARG49 4.1 25.6 1.0 HB2 X:PHE41 4.2 25.2 1.0 HB3 X:PRO55 4.4 17.8 1.0 CA X:CYS47 4.6 13.4 1.0 HA X:CYS47 4.6 16.1 1.0 SG X:CYS39 4.7 22.7 1.0 HG3 X:ARG49 4.7 20.8 1.0 HB2 X:PRO55 4.7 17.8 1.0 H X:GLY42 4.8 23.1 1.0 HB3 X:ARG57 4.8 26.0 1.0 HB3 X:PHE41 4.8 25.2 1.0 CD X:ARG49 4.9 21.3 1.0 HA2 X:GLY42 4.9 23.1 1.0 HA3 X:GLY42 5.0 23.1 1.0 HD3 X:ARG49 5.0 25.6 1.0 CB X:PHE41 5.0 21.0 1.0

Iron binding site 6 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1002 b:17.2 occ:0.59 FE2 X:FES1002 0.0 17.2 0.6 S2 X:FES1002 2.2 17.9 0.6 SG X:CYS39 2.2 22.7 1.0 S1 X:FES1002 2.3 16.4 0.6 FE1 X:FES1002 2.7 17.8 0.6 CB X:CYS39 3.2 21.6 1.0 HB3 X:CYS39 3.2 25.9 1.0 HB2 X:CYS39 3.2 25.9 1.0 HB2 X:PHE41 3.5 25.2 1.0 H X:GLY42 3.6 23.1 1.0 HD2 X:PHE41 4.0 28.3 1.0 O X:HOH1678 4.0 52.9 1.0 N X:GLY42 4.2 19.3 1.0 HA3 X:GLY42 4.3 23.1 1.0 HB2 X:CYS47 4.4 19.8 1.0 CB X:PHE41 4.5 21.0 1.0 CA X:CYS39 4.6 20.9 1.0 H X:PHE41 4.7 23.9 1.0 SG X:CYS47 4.7 19.8 1.0 CA X:GLY42 4.8 19.3 1.0 CD2 X:PHE41 4.8 23.6 1.0 HB3 X:PHE41 4.8 25.2 1.0 HA X:CYS39 4.9 25.0 1.0 HA2 X:GLY42 5.0 23.1 1.0

Iron binding site 7 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1003 b:42.7 occ:0.41 FE X:FE1004 2.1 47.7 0.6 O X:HOH1650 2.1 28.7 0.4 SG X:CYS333 2.1 24.7 1.0 O X:HOH1102 2.1 19.3 0.5 O X:HOH1538 2.2 33.5 0.9 O X:HOH1519 2.6 27.1 0.8 O X:HOH1458 2.7 35.6 0.9 FE X:FE1005 2.9 59.7 0.4 HB3 X:CYS333 3.0 23.3 1.0 HE1 X:HIS261 3.0 25.5 0.6 CB X:CYS333 3.1 19.4 1.0 HZ1 X:LYS563 3.2 29.2 1.0 FE X:FE1006 3.3 44.1 0.5 FE X:FE21009 3.3 33.3 0.6 HB2 X:CYS333 3.4 23.3 1.0 FE X:FE1007 3.6 48.1 0.6 HE1 X:HIS261 3.7 25.4 0.4 FE X:FE21009 3.8 43.7 0.4 CE1 X:HIS261 3.8 21.3 0.6 HB2 X:HIS561 3.8 17.1 1.0 O X:HOH1103 3.8 44.1 1.0 NE2 X:HIS261 3.8 22.1 0.4 FE X:FE1008 3.8 62.2 0.5 NZ X:LYS563 4.0 24.4 1.0 HB3 X:CYS446 4.1 22.3 1.0 HE3 X:MET560 4.1 26.4 1.0 HZ2 X:LYS563 4.1 29.2 1.0 CE1 X:HIS261 4.1 21.2 0.4 SG X:CYS446 4.2 24.0 1.0 HE1 X:MET560 4.2 26.4 1.0 HE3 X:LYS563 4.2 26.0 1.0 NE2 X:HIS261 4.2 23.7 0.6 O X:HOH1571 4.3 37.6 1.0 OD X:CSO294 4.3 20.8 0.6 O X:HOH1548 4.3 36.5 0.9 CA X:CYS333 4.4 17.6 1.0 HB3 X:HIS561 4.5 17.1 1.0 SG X:CSO294 4.5 28.9 0.4 HA X:CYS333 4.5 21.1 1.0 CB X:HIS561 4.5 14.2 1.0 HD2 X:HIS561 4.6 16.6 1.0 CB X:CYS446 4.6 18.6 1.0 CE X:MET560 4.6 22.0 1.0 HZ3 X:LYS563 4.6 29.2 1.0 CE X:LYS563 4.7 21.7 1.0 O X:HOH1275 4.7 23.5 1.0 HA X:CYS446 4.7 22.8 1.0 CG X:HIS561 4.8 13.0 1.0 CD2 X:HIS561 4.8 13.8 1.0 ND1 X:HIS261 4.9 22.2 0.6 O X:HOH1507 5.0 35.4 0.8

Iron binding site 8 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1004 b:47.7 occ:0.59 O X:HOH1538 2.0 33.5 0.9 FE X:FE1003 2.1 42.7 0.4 SG X:CYS446 2.3 24.0 1.0 HB3 X:CYS446 2.8 22.3 1.0 O X:HOH1519 3.0 27.1 0.8 FE X:FE1007 3.0 48.1 0.6 CB X:CYS446 3.0 18.6 1.0 FE X:FE1008 3.0 62.2 0.5 O X:HOH1571 3.0 37.6 1.0 O X:HOH1650 3.1 28.7 0.4 FE X:FE1005 3.3 59.7 0.4 HA X:CYS446 3.3 22.8 1.0 HB2 X:HIS561 3.5 17.1 1.0 CA X:CYS446 3.5 19.0 1.0 O X:HOH1102 3.6 19.3 0.5 N X:CYS446 3.7 20.2 1.0 HB2 X:CYS446 3.9 22.3 1.0 HB3 X:HIS561 3.9 17.1 1.0 HE3 X:MET560 3.9 26.4 1.0 SG X:CYS333 4.0 24.7 1.0 H X:CYS446 4.0 24.3 1.0 O X:HOH1458 4.0 35.6 0.9 H X:HIS561 4.1 15.8 1.0 FE X:FE21009 4.1 43.7 0.4 HA2 X:GLY445 4.1 22.8 1.0 CB X:HIS561 4.2 14.2 1.0 C X:GLY445 4.2 19.3 1.0 FE X:FE21009 4.3 33.3 0.6 FE X:FE1006 4.3 44.1 0.5 HB2 X:ALA564 4.3 19.2 1.0 O X:HOH1103 4.4 44.1 1.0 HB2 X:CYS476 4.4 30.9 1.0 HZ1 X:LYS563 4.5 29.2 1.0 HB3 X:MET560 4.6 21.8 1.0 O X:HOH1507 4.6 35.4 0.8 O X:GLY445 4.6 20.7 1.0 CA X:GLY445 4.7 19.0 1.0 CE X:MET560 4.7 22.0 1.0 HE1 X:MET560 4.8 26.4 1.0 HE3 X:LYS563 4.8 26.0 1.0 HE1 X:HIS261 4.8 25.5 0.6 N X:HIS561 4.8 13.2 1.0 HB3 X:CYS333 4.8 23.3 1.0 SG X:CYS526 4.8 21.4 0.4 O X:HOH1548 4.8 36.5 0.9 HG X:SER312 4.9 22.5 1.0 H X:MET560 4.9 16.9 1.0 HZ2 X:LYS563 4.9 29.2 1.0

Iron binding site 9 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1005 b:59.7 occ:0.39 FE X:FE1006 1.5 44.1 0.5 O X:HOH1458 2.0 35.6 0.9 SG X:CYS476 2.2 32.4 1.0 O X:HOH1548 2.2 36.5 0.9 O X:HOH1519 2.6 27.1 0.8 FE X:FE1008 2.8 62.2 0.5 FE X:FE1003 2.9 42.7 0.4 HB2 X:CYS476 3.1 30.9 1.0 FE X:FE21009 3.1 43.7 0.4 FE X:FE1004 3.3 47.7 0.6 FE X:FE21009 3.3 33.3 0.6 CB X:CYS476 3.3 25.8 1.0 O X:HOH1516 3.4 33.2 0.8 H X:CYS476 3.5 21.6 1.0 SG X:CSO294 3.5 28.9 0.4 HA X:CYS446 3.6 22.8 1.0 HB2 X:SER312 3.7 22.6 1.0 OD X:CSO294 3.8 20.8 0.6 O X:HOH1102 3.8 19.3 0.5 HE1 X:HIS261 3.9 25.5 0.6 HB3 X:CYS476 4.0 30.9 1.0 N X:CYS476 4.0 18.0 1.0 FE X:FE1007 4.1 48.1 0.6 HB2 X:CSO294 4.1 22.6 0.6 HA X:CSO294 4.2 24.1 0.4 CA X:CYS476 4.3 20.0 1.0 HA X:CSO294 4.3 22.3 0.6 HB3 X:CYS446 4.3 22.3 1.0 HB3 X:CYS333 4.3 23.3 1.0 HG X:SER312 4.3 22.5 1.0 O X:HOH1538 4.3 33.5 0.9 SG X:CSO294 4.4 23.3 0.6 O X:HOH1650 4.5 28.7 0.4 CA X:CYS446 4.5 19.0 1.0 CB X:SER312 4.5 18.8 1.0 HA X:CYS476 4.6 23.9 1.0 CE1 X:HIS261 4.6 21.3 0.6 SG X:CYS295 4.6 19.1 0.5 SG X:CYS295 4.6 23.0 0.5 H X:SER312 4.6 19.9 1.0 HA X:SER312 4.6 19.9 1.0 CB X:CSO294 4.7 18.8 0.6 SG X:CYS333 4.7 24.7 1.0 H X:CYS295 4.7 21.6 0.5 H X:CYS295 4.7 22.1 0.5 OG X:SER312 4.7 18.8 1.0 O X:GLY445 4.8 20.7 1.0 CB X:CYS446 4.8 18.6 1.0 HB2 X:CYS333 4.8 23.3 1.0 CB X:CYS333 4.8 19.4 1.0 NE2 X:HIS261 4.8 22.1 0.4 NE2 X:HIS261 4.9 23.7 0.6 CA X:CSO294 4.9 18.6 0.6 SG X:CYS526 4.9 21.4 0.4 C X:GLY475 4.9 17.7 1.0 O X:HOH1103 4.9 44.1 1.0 HB3 X:HIS311 5.0 21.9 1.0 CA X:CSO294 5.0 20.1 0.4 CB X:CSO294 5.0 23.4 0.4

Iron binding site 10 out of 14 in the Ni,Fe-Codh -600MV State : 4 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 -600MV State : 4 H Dioxygen Exposure within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1006 b:44.1 occ:0.50 FE X:FE1005 1.5 59.7 0.4 O X:HOH1458 2.1 35.6 0.9 SG X:CSO294 2.3 28.9 0.4 OD X:CSO294 2.3 20.8 0.6 SG X:CYS476 2.4 32.4 1.0 O X:HOH1519 2.6 27.1 0.8 O X:HOH1548 2.8 36.5 0.9 SG X:CSO294 2.9 23.3 0.6 HB2 X:CSO294 3.0 22.6 0.6 HA X:CSO294 3.3 24.1 0.4 FE X:FE1003 3.3 42.7 0.4 HB2 X:SER312 3.4 22.6 1.0 HA X:CSO294 3.4 22.3 0.6 CB X:CSO294 3.4 18.8 0.6 H X:SER312 3.5 19.9 1.0 HB3 X:CYS333 3.5 23.3 1.0 HA X:SER312 3.6 19.9 1.0 O X:HOH1516 3.6 33.2 0.8 HE1 X:HIS261 3.7 25.5 0.6 CB X:CSO294 3.8 23.4 0.4 FE X:FE21009 3.9 33.3 0.6 CA X:CSO294 4.0 18.6 0.6 HB2 X:CYS333 4.0 23.3 1.0 CA X:CSO294 4.0 20.1 0.4 CB X:CYS476 4.0 25.8 1.0 N X:SER312 4.1 16.6 1.0 HB2 X:CYS476 4.1 30.9 1.0 FE X:FE21009 4.1 43.7 0.4 HG X:SER312 4.1 22.5 1.0 CB X:SER312 4.1 18.8 1.0 CA X:SER312 4.1 16.6 1.0 CB X:CYS333 4.1 19.4 1.0 H X:CYS295 4.1 21.6 0.5 H X:CYS295 4.2 22.1 0.5 HB3 X:CSO294 4.2 28.1 0.4 O X:HOH1102 4.2 19.3 0.5 FE X:FE1004 4.3 47.7 0.6 FE X:FE1008 4.3 62.2 0.5 HB3 X:CSO294 4.3 22.6 0.6 O X:HOH1275 4.4 23.5 1.0 HB2 X:CSO294 4.5 28.1 0.4 O X:HOH1650 4.5 28.7 0.4 HB3 X:CYS476 4.5 30.9 1.0 OG X:SER312 4.5 18.8 1.0 HE1 X:HIS261 4.5 25.4 0.4 CE1 X:HIS261 4.5 21.3 0.6 HB3 X:HIS311 4.5 21.9 1.0 N X:CYS295 4.6 18.1 0.5 SG X:CYS333 4.6 24.7 1.0 N X:CYS295 4.6 18.4 0.5 HA X:CYS446 4.6 22.8 1.0 C X:CSO294 4.7 18.4 1.0 H X:CYS476 4.8 21.6 1.0 NE2 X:HIS261 4.9 22.1 0.4 HB3 X:CYS446 4.9 22.3 1.0 HB3 X:SER312 4.9 22.6 1.0 CE1 X:HIS261 4.9 21.2 0.4 HA X:HIS311 5.0 20.2 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