Iron in PDB 9fpk: Ni,Fe-Codh : Eu(II)-Reduced pH 8.0

All present enzymatic activity of Ni,Fe-Codh : Eu(II)-Reduced pH 8.0:
1.2.7.4;

The structure of Ni,Fe-Codh : Eu(II)-Reduced pH 8.0, PDB code: 9fpk 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)	27.91 / 1.26
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.25, 74.97, 71, 90, 111.4, 90
R / Rfree (%)	14.2 / 16.9

The structure of Ni,Fe-Codh : Eu(II)-Reduced pH 8.0 also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

Pages:

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

Binding sites:

The binding sites of Iron atom in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0 (pdb code 9fpk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 11 binding sites of Iron where determined in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0, PDB code: 9fpk:
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 Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:11.0 occ:1.00 FE1 X:SF41001 0.0 11.0 1.0 S3 X:SF41001 2.2 11.4 1.0 S2 X:SF41001 2.3 11.1 1.0 S4 X:SF41001 2.3 10.9 1.0 SG X:CYS56 2.3 11.4 1.0 FE3 X:SF41001 2.7 10.8 1.0 FE2 X:SF41001 2.7 11.0 1.0 FE4 X:SF41001 2.7 11.1 1.0 HB2 X:CYS56 2.9 13.6 1.0 CB X:CYS56 3.2 11.3 1.0 H X:ILE69 3.3 13.3 1.0 HB X:ILE69 3.5 13.8 1.0 HB3 X:CYS56 3.7 13.6 1.0 S1 X:SF41001 3.8 11.0 1.0 H X:CYS70 3.9 13.8 1.0 N X:ILE69 4.0 11.1 1.0 HB3 X:CYS48 4.0 12.6 1.0 HA2 X:GLY54 4.1 13.8 1.0 HA3 X:GLY54 4.2 13.8 1.0 H X:CYS56 4.2 13.5 1.0 HA3 X:GLY68 4.2 14.6 1.0 HD12 X:ILE69 4.3 14.8 1.0 CB X:ILE69 4.4 11.5 1.0 CA X:CYS56 4.4 11.2 1.0 CA X:GLY54 4.4 11.5 1.0 H X:GLY54 4.5 13.9 1.0 N X:CYS56 4.5 11.2 1.0 N X:GLY54 4.5 11.6 1.0 HB2 X:GLN53 4.5 14.9 1.0 HA2 X:GLY68 4.6 14.6 1.0 HG13 X:ILE69 4.6 14.3 1.0 SG X:CYS51 4.6 10.5 1.0 SG X:CYS48 4.7 10.7 1.0 O X:CYS48 4.7 11.3 1.0 N X:CYS70 4.7 11.5 1.0 CA X:GLY68 4.7 12.2 1.0 CA X:ILE69 4.8 11.3 1.0 SG X:CYS70 4.8 11.0 1.0 CB X:CYS48 4.8 10.5 1.0 C X:GLY68 4.8 11.7 1.0 HA X:CYS56 4.9 13.5 1.0 CG1 X:ILE69 4.9 11.9 1.0 HE21 X:GLN53 5.0 18.2 1.0 C X:GLN53 5.0 10.9 1.0

Iron binding site 2 out of 11 in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:11.0 occ:1.00 FE2 X:SF41001 0.0 11.0 1.0 S4 X:SF41001 2.2 10.9 1.0 SG X:CYS51 2.3 10.5 1.0 S3 X:SF41001 2.3 11.4 1.0 S1 X:SF41001 2.3 11.0 1.0 FE1 X:SF41001 2.7 11.0 1.0 FE3 X:SF41001 2.7 10.8 1.0 FE4 X:SF41001 2.8 11.1 1.0 HB3 X:CYS51 3.3 12.2 1.0 CB X:CYS51 3.3 10.2 1.0 H X:CYS51 3.3 11.9 1.0 N X:CYS51 3.6 9.9 1.0 HB2 X:GLN53 3.7 14.9 1.0 HG3 X:MET199 3.7 14.8 1.0 CA X:CYS51 3.9 10.5 1.0 S2 X:SF41001 3.9 11.1 1.0 H X:GLY54 3.9 13.9 1.0 O X:HOH1431 4.0 11.0 0.5 HB2 X:CYS51 4.2 12.2 1.0 H X:GLN53 4.2 13.7 1.0 O X:CYS51 4.2 11.2 1.0 HB2 X:MET199 4.2 14.4 1.0 C X:CYS51 4.2 11.0 1.0 HE21 X:GLN53 4.3 18.2 1.0 C X:HIS50 4.3 10.8 1.0 N X:GLY54 4.4 11.6 1.0 HG2 X:MET199 4.4 14.8 1.0 CG X:MET199 4.4 12.3 1.0 H X:HIS50 4.5 12.9 1.0 HB2 X:HIS50 4.5 13.5 1.0 HB3 X:CYS70 4.5 13.3 1.0 CB X:GLN53 4.6 12.4 1.0 HA3 X:GLY54 4.6 13.8 1.0 HA X:CYS51 4.8 12.6 1.0 N X:HIS50 4.8 10.8 1.0 SG X:CYS48 4.8 10.7 1.0 N X:GLN53 4.8 11.4 1.0 SG X:CYS70 4.8 11.0 1.0 SG X:CYS56 4.9 11.4 1.0 CB X:MET199 4.9 12.0 1.0 H X:CYS70 4.9 13.8 1.0 HH22 X:ARG80 5.0 13.9 1.0 CA X:HIS50 5.0 10.8 1.0 HB X:ILE69 5.0 13.8 1.0 CA X:GLY54 5.0 11.5 1.0

Iron binding site 3 out of 11 in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:10.8 occ:1.00 FE3 X:SF41001 0.0 10.8 1.0 S1 X:SF41001 2.2 11.0 1.0 S2 X:SF41001 2.2 11.1 1.0 S4 X:SF41001 2.3 10.9 1.0 SG X:CYS48 2.3 10.7 1.0 FE1 X:SF41001 2.7 11.0 1.0 FE2 X:SF41001 2.7 11.0 1.0 FE4 X:SF41001 2.7 11.1 1.0 HB3 X:CYS48 3.0 12.6 1.0 HH22 X:ARG80 3.2 13.9 1.0 H X:HIS50 3.3 12.9 1.0 CB X:CYS48 3.3 10.5 1.0 HB2 X:HIS50 3.5 13.5 1.0 HH21 X:ARG80 3.5 13.9 1.0 NH2 X:ARG80 3.6 11.6 1.0 S3 X:SF41001 3.8 11.4 1.0 HB2 X:CYS56 3.9 13.6 1.0 HB2 X:CYS48 3.9 12.6 1.0 N X:HIS50 4.0 10.8 1.0 H X:CYS51 4.1 11.9 1.0 C X:CYS48 4.2 11.1 1.0 O X:CYS48 4.2 11.3 1.0 CA X:CYS48 4.3 9.9 1.0 CB X:HIS50 4.3 11.2 1.0 CA X:HIS50 4.5 10.8 1.0 N X:CYS51 4.5 9.9 1.0 N X:ARG49 4.6 11.4 1.0 SG X:CYS56 4.7 11.4 1.0 HG12 X:ILE77 4.7 14.9 1.0 CB X:CYS56 4.7 11.3 1.0 C X:HIS50 4.8 10.8 1.0 CZ X:ARG80 4.8 11.5 1.0 HA X:CYS48 4.8 11.9 1.0 SG X:CYS70 4.9 11.0 1.0 HA X:ARG49 4.9 14.9 1.0 HB3 X:ALA72 4.9 14.9 1.0 SG X:CYS51 4.9 10.5 1.0 H X:ARG49 4.9 13.7 1.0 C X:ARG49 5.0 12.1 1.0 H X:CYS56 5.0 13.5 1.0

Iron binding site 4 out of 11 in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1001 b:11.1 occ:1.00 FE4 X:SF41001 0.0 11.1 1.0 S2 X:SF41001 2.2 11.1 1.0 S1 X:SF41001 2.3 11.0 1.0 S3 X:SF41001 2.3 11.4 1.0 SG X:CYS70 2.3 11.0 1.0 FE3 X:SF41001 2.7 10.8 1.0 FE1 X:SF41001 2.7 11.0 1.0 FE2 X:SF41001 2.8 11.0 1.0 H X:CYS70 3.1 13.8 1.0 HB3 X:CYS70 3.2 13.3 1.0 HH22 X:ARG80 3.3 13.9 1.0 CB X:CYS70 3.4 11.1 1.0 N X:CYS70 3.9 11.5 1.0 HB2 X:ALA72 3.9 14.9 1.0 S4 X:SF41001 3.9 10.9 1.0 HB3 X:ALA72 4.0 14.9 1.0 HG2 X:MET199 4.0 14.8 1.0 HB2 X:CYS70 4.1 13.3 1.0 NH2 X:ARG80 4.2 11.6 1.0 O X:HOH1468 4.2 11.0 1.0 CA X:CYS70 4.2 11.9 1.0 HG3 X:MET199 4.2 14.8 1.0 H X:ALA72 4.3 15.5 1.0 H X:ILE69 4.3 13.3 1.0 HA3 X:GLY68 4.4 14.6 1.0 CB X:ALA72 4.4 12.4 1.0 HH21 X:ARG80 4.5 13.9 1.0 O X:HOH1431 4.5 11.0 0.5 HH12 X:ARG80 4.5 14.2 1.0 CG X:MET199 4.6 12.3 1.0 N X:ILE69 4.6 11.1 1.0 HB X:ILE69 4.7 13.8 1.0 SG X:CYS51 4.7 10.5 1.0 SG X:CYS48 4.8 10.7 1.0 SG X:CYS56 4.8 11.4 1.0 HA X:CYS70 5.0 14.3 1.0 HE21 X:GLN53 5.0 18.2 1.0 C X:ILE69 5.0 11.7 1.0

Iron binding site 5 out of 11 in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1002 b:12.2 occ:0.90 FE1 X:FES1002 0.0 12.2 0.9 SG X:CYS47 2.3 13.0 1.0 S1 X:FES1002 2.3 12.3 0.9 S2 X:FES1002 2.3 12.4 0.9 FE2 X:FES1002 2.7 12.5 0.9 HB2 X:CYS47 3.0 15.9 1.0 CB X:CYS47 3.2 13.3 1.0 HB3 X:CYS47 3.5 15.9 1.0 O X:HOH1596 3.6 13.3 1.0 HB2 X:PHE41 4.2 16.5 1.0 HD2 X:ARG49 4.2 18.6 1.0 HB2 X:PRO55 4.5 14.9 1.0 CA X:CYS47 4.6 12.0 1.0 HA X:CYS47 4.6 14.4 1.0 HB3 X:PHE41 4.7 16.5 1.0 SG X:CYS39 4.7 13.2 1.0 H X:GLY42 4.7 17.0 1.0 HG3 X:ARG49 4.8 16.4 1.0 HB3 X:ARG57 4.9 15.7 1.0 CB X:PHE41 4.9 13.7 1.0 CD X:ARG49 5.0 15.5 1.0

Iron binding site 6 out of 11 in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1002 b:12.5 occ:0.90 FE2 X:FES1002 0.0 12.5 0.9 S2 X:FES1002 2.3 12.4 0.9 SG X:CYS39 2.3 13.2 1.0 S1 X:FES1002 2.3 12.3 0.9 FE1 X:FES1002 2.7 12.2 0.9 CB X:CYS39 3.2 13.3 1.0 HB3 X:CYS39 3.2 16.0 1.0 HB2 X:CYS39 3.2 16.0 1.0 HB2 X:PHE41 3.4 16.5 1.0 H X:GLY42 3.5 17.0 1.0 H12 X:PEG1010 4.0 37.2 0.8 H22 X:PEG1010 4.0 34.5 0.8 H21 X:PEG1010 4.0 34.5 0.8 HD2 X:PHE41 4.1 16.7 1.0 N X:GLY42 4.2 14.2 1.0 HA3 X:GLY42 4.3 16.9 1.0 CB X:PHE41 4.3 13.7 1.0 C2 X:PEG1010 4.4 28.7 0.8 HB2 X:CYS47 4.4 15.9 1.0 H X:PHE41 4.6 16.6 1.0 CA X:CYS39 4.6 13.6 1.0 C1 X:PEG1010 4.6 31.0 0.8 HB3 X:PHE41 4.7 16.5 1.0 CA X:GLY42 4.7 14.1 1.0 SG X:CYS47 4.8 13.0 1.0 CD2 X:PHE41 4.8 13.9 1.0 HA X:CYS39 4.9 16.3 1.0 HA2 X:GLY42 5.0 16.9 1.0

Iron binding site 7 out of 11 in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1003 b:14.8 occ:0.78 FE1 X:F3S1003 0.0 14.8 0.8 S2 X:F3S1003 2.2 14.8 0.8 SG X:CYS476 2.2 14.2 0.2 S1 X:F3S1003 2.3 14.5 0.8 S3 X:F3S1003 2.3 14.8 0.8 SG X:CYS476 2.4 14.4 0.8 FE4 X:F3S1003 2.7 13.7 0.8 FE3 X:F3S1003 2.7 13.9 0.8 HB2 X:CYS476 3.0 17.7 0.8 FE X:FE1004 3.2 13.8 0.2 HG X:CYS294 3.3 17.1 0.8 SG X:CYS294 3.3 15.1 0.2 CB X:CYS476 3.3 14.7 0.8 H X:CYS476 3.4 15.9 0.2 H X:CYS476 3.4 15.9 0.8 NI X:NI1005 3.5 18.7 0.3 HA X:CYS446 3.6 15.4 1.0 CB X:CYS476 3.6 13.6 0.2 HB2 X:CYS476 3.6 16.4 0.2 HB2 X:SER312 3.7 18.0 1.0 NI X:NI1005 3.8 12.3 0.3 O X:HOH1350 3.9 17.9 0.8 HG X:SER312 3.9 18.3 1.0 S4 X:F3S1003 3.9 13.7 0.7 FE X:FE1004 3.9 14.9 0.6 N X:CYS476 4.0 13.2 0.2 HB3 X:CYS476 4.0 17.7 0.8 N X:CYS476 4.0 13.2 0.8 HA X:CYS294 4.3 17.4 0.8 HA X:CYS294 4.3 17.4 0.2 HB3 X:CYS476 4.3 16.4 0.2 CA X:CYS476 4.3 13.8 0.2 HE1 X:HIS261 4.3 17.6 0.4 CA X:CYS476 4.3 13.8 0.8 SG X:CYS294 4.3 14.3 0.8 HB3 X:CYS446 4.4 15.1 1.0 CA X:CYS446 4.4 12.9 1.0 NE2 X:HIS261 4.5 14.1 0.4 HB3 X:CYS294 4.5 17.8 0.8 CB X:SER312 4.5 15.0 1.0 HA X:CYS476 4.5 16.6 0.2 HB3 X:CYS333 4.5 18.0 1.0 SG X:CYS295 4.5 13.0 0.2 OG X:SER312 4.6 15.2 1.0 H X:SER312 4.6 17.1 1.0 HA X:SER312 4.6 16.4 1.0 SG X:CYS526 4.6 14.3 0.9 CE1 X:HIS261 4.7 14.7 0.4 CB X:CYS446 4.7 12.6 1.0 CB X:CYS294 4.8 14.8 0.2 HA X:CYS476 4.8 16.6 0.8 SG X:CYS333 4.8 14.4 1.0 CB X:CYS294 4.8 14.8 0.8 SG X:CYS446 4.9 14.1 1.0 O X:GLY445 4.9 15.6 1.0 H X:CYS295 4.9 17.2 0.8 HA3 X:GLY475 4.9 15.3 1.0 SG X:CYS295 4.9 15.6 0.8 C X:GLY475 5.0 11.7 1.0 CA X:SER312 5.0 13.6 1.0 N X:CYS446 5.0 13.9 1.0 CA X:CYS294 5.0 14.5 0.2

Iron binding site 8 out of 11 in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1003 b:13.9 occ:0.77 FE3 X:F3S1003 0.0 13.9 0.8 S4 X:F3S1003 2.2 13.7 0.7 S1 X:F3S1003 2.2 14.5 0.8 S3 X:F3S1003 2.4 14.8 0.8 SG X:CYS446 2.4 14.1 1.0 FE4 X:F3S1003 2.5 13.7 0.8 NI X:NI1005 2.7 18.7 0.3 NI X:NI1005 2.7 12.3 0.3 FE1 X:F3S1003 2.7 14.8 0.8 HA X:CYS446 3.1 15.4 1.0 HB3 X:CYS446 3.1 15.1 1.0 CB X:CYS446 3.1 12.6 1.0 CA X:CYS446 3.4 12.9 1.0 N X:CYS446 3.6 13.9 1.0 C X:CMO1006 3.7 12.8 0.3 HB2 X:HIS561 3.8 13.1 1.0 HE3 X:MET560 3.9 16.5 1.0 H X:CYS446 3.9 16.7 1.0 HA2 X:GLY445 3.9 16.2 1.0 S2 X:F3S1003 3.9 14.8 0.8 HB2 X:CYS446 4.0 15.1 1.0 C X:GLY445 4.1 14.6 1.0 FE X:FE1004 4.1 13.8 0.2 C X:CO21007 4.1 15.9 0.2 O X:HOH1648 4.2 13.1 0.1 SG X:CYS476 4.2 14.2 0.2 HB2 X:CYS476 4.2 17.7 0.8 H X:HIS561 4.3 13.1 1.0 HB3 X:HIS561 4.3 13.1 1.0 HG X:SER312 4.3 18.3 1.0 SG X:CYS333 4.4 14.4 1.0 HB2 X:CYS476 4.4 16.4 0.2 HB2 X:ALA564 4.4 15.0 1.0 O X:CMO1006 4.4 15.9 0.3 CB X:HIS561 4.5 10.9 1.0 CA X:GLY445 4.5 13.5 1.0 O X:GLY445 4.6 15.6 1.0 FE X:FE1004 4.6 14.9 0.6 SG X:CYS526 4.6 14.3 0.9 H X:CYS476 4.7 15.9 0.2 H X:CYS476 4.7 15.9 0.8 HE1 X:MET560 4.7 16.5 1.0 HB3 X:MET560 4.7 15.7 1.0 CE X:MET560 4.7 13.8 1.0 O1 X:CO21007 4.8 15.3 0.2 SG X:CYS476 4.8 14.4 0.8 C X:CYS446 4.9 13.2 1.0 CB X:CYS476 4.9 13.6 0.2 O X:HOH1103 4.9 14.5 0.3

Iron binding site 9 out of 11 in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1003 b:13.7 occ:0.78 FE4 X:F3S1003 0.0 13.7 0.8 S2 X:F3S1003 2.2 14.8 0.8 SG X:CYS333 2.2 14.4 1.0 S4 X:F3S1003 2.3 13.7 0.7 S3 X:F3S1003 2.3 14.8 0.8 FE3 X:F3S1003 2.5 13.9 0.8 HE1 X:HIS261 2.6 17.6 0.4 FE1 X:F3S1003 2.7 14.8 0.8 HB3 X:CYS333 3.0 18.0 1.0 CB X:CYS333 3.1 15.0 1.0 CE1 X:HIS261 3.2 14.7 0.4 NI X:NI1005 3.2 18.7 0.3 FE X:FE1004 3.3 14.9 0.6 NE2 X:HIS261 3.3 14.1 0.4 HB2 X:CYS333 3.3 18.0 1.0 FE X:FE1004 3.5 13.8 0.2 HZ1 X:LYS563 3.5 17.3 1.0 HE1 X:HIS261 3.6 15.8 0.6 S1 X:F3S1003 3.6 14.5 0.8 HZ2 X:LYS563 3.7 17.3 1.0 NI X:NI1005 3.7 12.3 0.3 SG X:CYS294 3.7 15.1 0.2 HG X:CYS294 3.9 17.1 0.8 O1 X:CO21007 4.0 15.3 0.2 C X:CO21007 4.0 15.9 0.2 O X:HOH1103 4.0 14.5 0.3 NZ X:LYS563 4.0 14.4 1.0 NE2 X:HIS261 4.1 13.0 0.6 CE1 X:HIS261 4.1 13.2 0.6 HB2 X:HIS561 4.2 13.1 1.0 HE1 X:MET560 4.3 16.5 1.0 HE3 X:LYS563 4.3 14.6 1.0 HE3 X:MET560 4.4 16.5 1.0 ND1 X:HIS261 4.5 13.3 0.4 CA X:CYS333 4.5 15.1 1.0 SG X:CYS446 4.6 14.1 1.0 O X:HOH1402 4.6 15.7 1.0 HA X:CYS333 4.6 18.2 1.0 CD2 X:HIS261 4.7 12.8 0.4 HZ3 X:LYS563 4.7 17.3 1.0 CE X:LYS563 4.7 12.1 1.0 SG X:CYS476 4.8 14.2 0.2 HD2 X:HIS561 4.8 13.2 1.0 HB3 X:CYS294 4.8 17.8 0.8 CE X:MET560 4.8 13.8 1.0 HB3 X:CYS446 4.8 15.1 1.0 HB3 X:HIS561 4.9 13.1 1.0 CB X:HIS561 4.9 10.9 1.0 SG X:CYS476 4.9 14.4 0.8 HG X:SER312 4.9 18.3 1.0 HD1 X:HIS261 4.9 15.9 0.4 SG X:CYS294 5.0 14.3 0.8

Iron binding site 10 out of 11 in the Ni,Fe-Codh : Eu(II)-Reduced pH 8.0


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 : Eu(II)-Reduced pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1004 b:14.9 occ:0.57 FE X:FE1004 0.0 14.9 0.6 NE2 X:HIS261 1.1 14.1 0.4 FE X:FE1004 1.4 13.8 0.2 CD2 X:HIS261 1.9 12.8 0.4 O X:HOH1103 2.0 14.5 0.3 O1 X:CO21007 2.1 15.3 0.2 NE2 X:HIS261 2.2 13.0 0.6 HD2 X:HIS261 2.2 15.4 0.4 SG X:CYS295 2.3 15.6 0.8 CE1 X:HIS261 2.3 14.7 0.4 S2 X:F3S1003 2.4 14.8 0.8 HB2 X:CYS526 2.8 16.6 0.1 HE1 X:HIS261 2.8 17.6 0.4 NI X:NI1005 2.8 18.7 0.3 HB2 X:CYS295 2.8 16.6 0.2 C X:CO21007 2.9 15.9 0.2 HZ2 X:LYS563 2.9 17.3 1.0 HB2 X:CYS295 3.0 16.5 0.8 SG X:CYS295 3.0 13.0 0.2 CD2 X:HIS261 3.1 13.1 0.6 CG X:HIS261 3.1 13.1 0.4 CE1 X:HIS261 3.2 13.2 0.6 SG X:CYS526 3.2 14.3 0.9 HD2 X:HIS261 3.2 15.7 0.6 ND1 X:HIS261 3.2 13.3 0.4 CB X:CYS295 3.2 13.8 0.8 HB2 X:CYS526 3.3 15.4 0.9 FE4 X:F3S1003 3.3 13.7 0.8 CB X:CYS295 3.4 13.9 0.2 HE1 X:HIS261 3.4 15.8 0.6 NI X:NI1005 3.4 12.3 0.3 HB3 X:CYS526 3.5 16.6 0.1 CB X:CYS526 3.6 13.8 0.1 S4 X:F3S1003 3.6 13.7 0.7 HZ1 X:LYS563 3.6 17.3 1.0 NZ X:LYS563 3.6 14.4 1.0 CB X:CYS526 3.8 12.8 0.9 HZ3 X:LYS563 3.8 17.3 1.0 O X:HOH1151 3.9 17.1 0.6 HB3 X:CYS295 3.9 16.5 0.8 H X:CYS295 3.9 17.2 0.8 HB3 X:CYS295 3.9 16.6 0.2 FE1 X:F3S1003 3.9 14.8 0.8 H X:CYS526 4.0 16.1 0.1 H X:CYS526 4.0 16.1 0.9 O2 X:CO21007 4.0 13.7 0.2 HD1 X:HIS261 4.1 15.9 0.4 SG X:CYS294 4.1 15.1 0.2 H X:CYS295 4.1 17.3 0.2 S1 X:F3S1003 4.1 14.5 0.8 O X:HOH1549 4.2 15.5 1.0 CG X:HIS261 4.2 13.3 0.6 HG X:CYS526 4.2 16.9 0.1 ND1 X:HIS261 4.3 13.4 0.6 HB3 X:CYS526 4.3 15.4 0.9 CA X:CYS295 4.3 14.5 0.8 N X:CYS295 4.4 14.3 0.8 O X:HOH1350 4.4 17.9 0.8 SG X:CYS526 4.4 14.1 0.1 SG X:CYS333 4.5 14.4 1.0 CB X:HIS261 4.5 13.3 0.4 HA X:CYS295 4.5 17.4 0.8 N X:CYS295 4.6 14.4 0.2 FE3 X:F3S1003 4.6 13.9 0.8 CA X:CYS295 4.6 14.1 0.2 HB3 X:HIS261 4.6 16.0 0.4 N X:CYS526 4.7 13.4 0.1 N X:CYS526 4.7 13.4 0.9 HB3 X:CYS294 4.7 17.8 0.8 CA X:CYS526 4.8 13.6 0.1 CE X:LYS563 4.9 12.1 1.0 CA X:CYS526 4.9 13.5 0.9 HD2 X:LYS563 4.9 15.9 1.0 HB2 X:CYS333 4.9 18.0 1.0 HE3 X:LYS563 4.9 14.6 1.0 HA X:HIS261 4.9 16.6 0.4

Y.Basak, J.-H.Jeoung, H.Dobbek. Ni,Fe-Codh : Ti(III)-Reduced pH 8.0 Nature Catalysis 2025.
DOI: 10.1038/S41929-025-01388-5