Iron in PDB 3cf4: Structure of the Codh Component of the M. Barkeri Acds Complex

All present enzymatic activity of Structure of the Codh Component of the M. Barkeri Acds Complex:
1.2.99.2;

The structure of Structure of the Codh Component of the M. Barkeri Acds Complex, PDB code: 3cf4 was solved by W.Gong, B.Hao, Z.Wei, D.J.Ferguson Jr., T.Tallant, J.A.Krzycki, M.K.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	133.291, 81.681, 101.120, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 24.8

The structure of Structure of the Codh Component of the M. Barkeri Acds Complex also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Iron atom in the Structure of the Codh Component of the M. Barkeri Acds Complex (pdb code 3cf4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 18 binding sites of Iron where determined in the Structure of the Codh Component of the M. Barkeri Acds Complex, PDB code: 3cf4:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe809 b:18.6 occ:1.00 FE3 A:SF4809 0.0 18.6 1.0 S1 A:SF4809 2.3 14.8 1.0 S2 A:SF4809 2.3 15.4 1.0 SG A:CYS77 2.4 14.4 1.0 FE4 A:SF4809 2.7 17.8 1.0 CB A:CYS77 3.5 14.0 1.0 O A:HOH845 4.0 15.8 1.0 N A:CYS77 4.3 12.1 1.0 O A:HOH1142 4.5 35.9 1.0 CA A:CYS77 4.5 12.1 1.0 SG A:CYS73 4.9 13.1 1.0

Iron binding site 2 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe809 b:17.8 occ:1.00 FE4 A:SF4809 0.0 17.8 1.0 SG A:CYS73 2.3 13.1 1.0 S1 A:SF4809 2.3 14.8 1.0 S2 A:SF4809 2.3 15.4 1.0 FE3 A:SF4809 2.7 18.6 1.0 CB A:CYS73 3.2 12.0 1.0 O A:GLN75 4.4 14.0 1.0 CB A:GLN75 4.5 13.5 1.0 NE2 A:GLN75 4.6 12.8 1.0 CA A:CYS73 4.6 11.7 1.0 C A:GLN75 4.7 14.9 1.0 N A:GLN75 4.9 13.6 1.0 CA A:GLN75 5.0 13.5 1.0

Iron binding site 3 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe810 b:14.8 occ:1.00 FE1 A:SF4810 0.0 14.8 1.0 S3 A:SF4810 2.3 12.3 1.0 SG A:CYS76 2.3 10.2 1.0 S4 A:SF4810 2.3 13.0 1.0 S2 A:SF4810 2.4 11.4 1.0 FE3 A:SF4810 2.7 14.3 1.0 FE4 A:SF4810 2.7 13.4 1.0 FE2 A:SF4810 2.7 14.9 1.0 CB A:CYS76 3.2 11.8 1.0 NH2 A:ARG104 3.8 5.7 1.0 S1 A:SF4810 3.9 12.8 1.0 CB A:TYR78 3.9 10.0 1.0 N A:TYR78 4.1 10.9 1.0 C A:CYS76 4.2 12.1 1.0 O A:CYS76 4.2 12.5 1.0 CA A:CYS76 4.3 12.4 1.0 CA A:TYR78 4.6 10.0 1.0 N A:CYS77 4.6 12.1 1.0 N A:CYS79 4.7 11.6 1.0 CG A:TYR78 4.7 12.5 1.0 SG A:CYS84 4.8 12.7 1.0 CZ A:ARG104 4.9 7.7 1.0 SG A:CYS94 4.9 13.4 1.0 SG A:CYS79 4.9 10.4 1.0

Iron binding site 4 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe810 b:14.9 occ:1.00 FE2 A:SF4810 0.0 14.9 1.0 SG A:CYS79 2.3 10.4 1.0 S3 A:SF4810 2.3 12.3 1.0 S1 A:SF4810 2.3 12.8 1.0 S4 A:SF4810 2.3 13.0 1.0 FE1 A:SF4810 2.7 14.8 1.0 FE3 A:SF4810 2.8 14.3 1.0 FE4 A:SF4810 2.8 13.4 1.0 CB A:CYS79 3.5 11.4 1.0 N A:CYS79 3.6 11.6 1.0 S2 A:SF4810 4.0 11.4 1.0 CA A:CYS79 4.0 12.4 1.0 O A:CYS79 4.3 12.5 1.0 C A:CYS79 4.4 12.6 1.0 N A:GLY82 4.4 11.6 1.0 CB A:TYR78 4.5 10.0 1.0 CB A:TYR81 4.5 12.2 1.0 C A:TYR78 4.6 12.2 1.0 CB A:ALA184 4.7 11.6 1.0 SG A:CYS94 4.8 13.4 1.0 SG A:CYS76 4.8 10.2 1.0 N A:TYR78 4.9 10.9 1.0 CA A:GLY82 4.9 14.4 1.0 SG A:CYS84 4.9 12.7 1.0 N A:TYR81 4.9 11.8 1.0 CA A:TYR78 4.9 10.0 1.0 CD1 A:TYR81 4.9 11.6 1.0

Iron binding site 5 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe810 b:14.3 occ:1.00 FE3 A:SF4810 0.0 14.3 1.0 S1 A:SF4810 2.3 12.8 1.0 SG A:CYS84 2.3 12.7 1.0 S2 A:SF4810 2.3 11.4 1.0 S4 A:SF4810 2.3 13.0 1.0 FE1 A:SF4810 2.7 14.8 1.0 FE4 A:SF4810 2.7 13.4 1.0 FE2 A:SF4810 2.8 14.9 1.0 CB A:CYS84 3.3 13.4 1.0 S3 A:SF4810 3.9 12.3 1.0 N A:ALA93 4.1 16.6 1.0 CA A:GLY82 4.2 14.4 1.0 N A:CYS84 4.2 11.9 1.0 CA A:GLY92 4.3 16.6 1.0 N A:GLY82 4.3 11.6 1.0 CA A:CYS84 4.4 12.1 1.0 O A:CYS76 4.5 12.5 1.0 SG A:CYS76 4.6 10.2 1.0 C A:GLY92 4.6 17.0 1.0 CB A:CYS76 4.7 11.8 1.0 SG A:CYS79 4.7 10.4 1.0 CB A:ALA93 4.8 17.2 1.0 SG A:CYS94 4.8 13.4 1.0 C A:PRO83 4.8 13.3 1.0 N A:CYS94 4.9 16.8 1.0 CA A:ALA93 5.0 17.0 1.0 C A:TYR81 5.0 11.8 1.0

Iron binding site 6 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe810 b:13.4 occ:1.00 FE4 A:SF4810 0.0 13.4 1.0 S2 A:SF4810 2.3 11.4 1.0 SG A:CYS94 2.3 13.4 1.0 S1 A:SF4810 2.3 12.8 1.0 S3 A:SF4810 2.3 12.3 1.0 FE1 A:SF4810 2.7 14.8 1.0 FE3 A:SF4810 2.7 14.3 1.0 FE2 A:SF4810 2.8 14.9 1.0 CB A:CYS94 3.3 14.4 1.0 S4 A:SF4810 4.0 13.0 1.0 N A:CYS94 4.0 16.8 1.0 CG2 A:ILE96 4.1 10.5 1.0 O A:HOH870 4.2 15.3 1.0 CA A:CYS94 4.3 16.1 1.0 NH2 A:ARG104 4.4 5.7 1.0 CA A:GLY92 4.6 16.6 1.0 N A:ALA93 4.6 16.6 1.0 SG A:CYS84 4.7 12.7 1.0 SG A:CYS79 4.8 10.4 1.0 SG A:CYS76 4.8 10.2 1.0 C A:GLY92 4.8 17.0 1.0

Iron binding site 7 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe808 b:25.3 occ:1.00 NE2 A:HIS250 2.0 22.3 1.0 O A:HOH827 2.1 24.6 1.0 S3 A:WCC811 2.3 22.8 1.0 SG A:CYS278 2.3 24.5 1.0 SG A:CYS587 2.9 16.7 1.0 CD2 A:HIS250 3.0 22.2 1.0 CE1 A:HIS250 3.1 21.3 1.0 NI A:WCC811 3.2 26.3 1.0 FE1 A:WCC811 3.4 21.9 1.0 CB A:CYS278 3.4 20.2 1.0 CB A:CYS587 3.6 17.5 1.0 S4 A:WCC811 3.6 19.5 1.0 NZ A:LYS637 4.0 21.3 1.0 FE4 A:WCC811 4.0 22.6 1.0 N A:CYS278 4.1 19.1 1.0 CG A:HIS250 4.2 23.3 1.0 O A:HOH984 4.2 26.9 1.0 ND1 A:HIS250 4.2 23.1 1.0 O A:CMO812 4.3 24.0 1.0 CA A:CYS278 4.4 19.5 1.0 S1 A:WCC811 4.4 21.1 1.0 O A:HOH927 4.4 12.6 1.0 C A:CMO812 4.6 19.2 1.0 N A:CYS587 4.7 12.5 1.0 FE3 A:WCC811 4.8 22.6 1.0 CA A:CYS587 4.8 14.8 1.0 SG A:CYS323 4.8 17.4 1.0

Iron binding site 8 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe811 b:21.9 occ:1.00 FE1 A:WCC811 0.0 21.9 1.0 S4 A:WCC811 2.3 19.5 1.0 S2 A:WCC811 2.3 20.1 1.0 S3 A:WCC811 2.3 22.8 1.0 SG A:CYS323 2.4 17.4 1.0 FE3 A:WCC811 2.7 22.6 1.0 FE4 A:WCC811 2.8 22.6 1.0 CB A:CYS323 3.3 16.2 1.0 FE A:FE808 3.4 25.3 1.0 NI A:WCC811 3.5 26.3 1.0 O A:HOH827 3.9 24.6 1.0 CE1 A:HIS250 4.0 21.3 1.0 S1 A:WCC811 4.0 21.1 1.0 NE2 A:HIS250 4.0 22.3 1.0 NZ A:LYS637 4.1 21.3 1.0 CE2 A:PHE634 4.4 14.6 1.0 SG A:CYS523 4.7 15.0 1.0 CA A:CYS323 4.7 15.1 1.0 CE A:LYS637 4.8 17.9 1.0 CB A:SER635 4.9 15.9 1.0 OG A:SER635 4.9 16.2 1.0 SG A:CYS552 5.0 20.0 1.0

Iron binding site 9 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe811 b:22.6 occ:1.00 FE3 A:WCC811 0.0 22.6 1.0 SG A:CYS523 2.3 15.0 1.0 S2 A:WCC811 2.3 20.1 1.0 S4 A:WCC811 2.4 19.5 1.0 S1 A:WCC811 2.4 21.1 1.0 NI A:WCC811 2.7 26.3 1.0 FE4 A:WCC811 2.7 22.6 1.0 FE1 A:WCC811 2.7 21.9 1.0 CB A:CYS523 3.2 16.2 1.0 CA A:CYS523 3.3 16.2 1.0 N A:CYS523 3.4 15.3 1.0 OG A:SER635 3.9 16.2 1.0 S3 A:WCC811 4.0 22.8 1.0 C A:CMO812 4.1 19.2 1.0 C A:GLY522 4.2 18.1 1.0 CB A:SER635 4.4 15.9 1.0 CD2 A:PHE634 4.4 16.1 1.0 CE2 A:PHE634 4.6 14.6 1.0 SG A:CYS323 4.7 17.4 1.0 SG A:CYS587 4.7 16.7 1.0 CD A:PRO524 4.7 14.4 1.0 O A:CMO812 4.7 24.0 1.0 SG A:CYS552 4.8 20.0 1.0 CA A:GLY522 4.8 17.0 1.0 C A:CYS523 4.8 14.0 1.0 FE A:FE808 4.8 25.3 1.0 O A:GLY522 4.8 18.3 1.0 O A:HOH827 4.9 24.6 1.0

Iron binding site 10 out of 18 in the Structure of the Codh Component of the M. Barkeri Acds Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of the Codh Component of the M. Barkeri Acds Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe811 b:22.6 occ:1.00 FE4 A:WCC811 0.0 22.6 1.0 S3 A:WCC811 2.3 22.8 1.0 S1 A:WCC811 2.3 21.1 1.0 S2 A:WCC811 2.3 20.1 1.0 SG A:CYS552 2.4 20.0 1.0 FE3 A:WCC811 2.7 22.6 1.0 FE1 A:WCC811 2.8 21.9 1.0 CB A:CYS552 3.5 18.3 1.0 NI A:WCC811 3.5 26.3 1.0 O A:HOH984 3.6 26.9 1.0 S4 A:WCC811 4.0 19.5 1.0 FE A:FE808 4.0 25.3 1.0 N A:CYS552 4.1 18.6 1.0 CA A:CYS523 4.2 16.2 1.0 CD A:PRO524 4.3 14.4 1.0 SG A:CYS587 4.4 16.7 1.0 CA A:CYS552 4.4 18.1 1.0 N A:CYS523 4.6 15.3 1.0 CB A:CYS523 4.7 16.2 1.0 SG A:CYS523 4.8 15.0 1.0 O A:GLY522 4.8 18.3 1.0 C A:GLY522 4.8 18.1 1.0

W.Gong, B.Hao, Z.Wei, D.J.Ferguson Jr., T.Tallant, J.A.Krzycki, M.K.Chan. Structure of the ALPHA2 EPSILON2 Ni-Dependent Co Dehydrogenase Component of the Methanosarcina Barkeri Acetyl-Coa Decarboxylase/Synthase Complex Proc.Natl.Acad.Sci.Usa V. 105 9558 2008.
ISSN: ISSN 0027-8424
PubMed: 18621675
DOI: 10.1073/PNAS.0800415105