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Iron in PDB 9fub: Wobbly Codh/Acs in the Carbonylated State

Enzymatic activity of Wobbly Codh/Acs in the Carbonylated State

All present enzymatic activity of Wobbly Codh/Acs in the Carbonylated State:
1.2.7.4; 2.3.1.169;

Other elements in 9fub:

The structure of Wobbly Codh/Acs in the Carbonylated State also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Wobbly Codh/Acs in the Carbonylated State (pdb code 9fub). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the Wobbly Codh/Acs in the Carbonylated State, PDB code: 9fub:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 10 in 9fub

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Iron binding site 1 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:22.6
occ:0.36
 FE1 A:RQM701 0.0 22.6 0.4
SG A:CYS354 2.3 24.4 1.0
S3 A:RQM701 2.3 22.8 0.5
S4 A:RQM701 2.4 19.2 0.4
S2 A:RQM701 2.4 16.7 0.6
FE3 A:RQM701 2.6 19.7 0.4
FE4 A:RQM701 2.7 22.0 0.4
FE2 A:RQM701 3.1 19.2 0.1
CB A:CYS354 3.2 16.7 1.0
NI A:RQM701 3.4 17.2 0.1
S1 A:RQM701 3.8 22.2 0.7
NZ A:LYS583 4.0 21.0 1.0
NE2 A:HIS282 4.0 25.4 1.0
CE1 A:HIS282 4.1 21.4 1.0
SG A:CYS467 4.6 26.3 1.0
OG A:SER581 4.6 15.9 1.0
CA A:CYS354 4.6 18.5 1.0
CB A:CYS467 4.7 23.2 1.0
SG A:CYS497 4.9 38.3 1.0
CE A:LYS583 4.9 19.7 1.0
CE A:MET580 4.9 14.7 1.0

Iron binding site 2 out of 10 in 9fub

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Iron binding site 2 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:19.2
occ:0.15
 FE2 A:RQM701 0.0 19.2 0.1
NE2 A:HIS282 2.2 25.4 1.0
SG A:CYS316 2.3 33.9 1.0
S3 A:RQM701 2.3 22.8 0.5
NI A:RQM701 2.6 17.2 0.1
CD2 A:HIS282 3.0 11.1 1.0
FE1 A:RQM701 3.1 22.6 0.4
CE1 A:HIS282 3.2 21.4 1.0
SG A:CYS546 3.3 43.0 1.0
S4 A:RQM701 3.4 19.2 0.4
CB A:CYS316 3.5 19.5 1.0
FE4 A:RQM701 3.8 22.0 0.4
CB A:CYS546 3.9 14.6 1.0
S1 A:RQM701 3.9 22.2 0.7
CE A:LYS583 4.2 19.7 1.0
CG A:HIS282 4.2 18.3 1.0
ND1 A:HIS282 4.2 19.0 1.0
O A:HOH1050 4.3 21.8 1.0
NZ A:LYS583 4.3 21.0 1.0
FE3 A:RQM701 4.4 19.7 0.4
SG A:CYS354 4.5 24.4 1.0
SG A:CYS315 4.6 29.7 0.5
N A:CYS316 4.6 19.9 1.0
CA A:CYS316 4.6 18.4 1.0
O A:HOH1069 5.0 22.3 1.0
N A:CYS546 5.0 6.0 1.0

Iron binding site 3 out of 10 in 9fub

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Iron binding site 3 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:19.7
occ:0.38
 FE3 A:RQM701 0.0 19.7 0.4
SG A:CYS467 2.2 26.3 1.0
S4 A:RQM701 2.3 19.2 0.4
S1 A:RQM701 2.3 22.2 0.7
S2 A:RQM701 2.4 16.7 0.6
FE1 A:RQM701 2.6 22.6 0.4
FE4 A:RQM701 2.7 22.0 0.4
CB A:CYS467 2.8 23.2 1.0
NI A:RQM701 2.8 17.2 0.1
CA A:CYS467 3.4 14.5 1.0
N A:CYS467 3.6 19.4 1.0
OG A:SER581 3.9 15.9 1.0
S3 A:RQM701 4.0 22.8 0.5
C A:GLY466 4.1 13.0 1.0
FE2 A:RQM701 4.4 19.2 0.1
SG A:CYS354 4.4 24.4 1.0
O A:GLY466 4.6 25.2 1.0
SG A:CYS546 4.6 43.0 1.0
CA A:GLY466 4.6 16.9 1.0
SG A:CYS497 4.6 38.3 1.0
CB A:SER581 4.8 8.6 1.0
C A:CYS467 4.9 19.5 1.0
CE A:MET580 4.9 14.7 1.0

Iron binding site 4 out of 10 in 9fub

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Iron binding site 4 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:22.0
occ:0.37
 FE4 A:RQM701 0.0 22.0 0.4
S2 A:RQM701 2.3 16.7 0.6
S1 A:RQM701 2.3 22.2 0.7
S3 A:RQM701 2.3 22.8 0.5
SG A:CYS497 2.3 38.3 1.0
FE3 A:RQM701 2.7 19.7 0.4
FE1 A:RQM701 2.7 22.6 0.4
O A:HOH1050 3.2 21.8 1.0
NI A:RQM701 3.6 17.2 0.1
CB A:CYS497 3.6 19.2 1.0
FE2 A:RQM701 3.8 19.2 0.1
S4 A:RQM701 4.0 19.2 0.4
CB A:CYS467 4.0 23.2 1.0
CA A:CYS467 4.0 14.5 1.0
N A:CYS497 4.1 14.5 1.0
CA A:CYS497 4.4 18.5 1.0
CB A:PHE333 4.5 13.9 1.0
O A:GLY466 4.5 25.2 1.0
SG A:CYS467 4.6 26.3 1.0
N A:CYS467 4.7 19.4 1.0
SG A:CYS546 4.7 43.0 1.0
SG A:CYS316 4.7 33.9 1.0
C A:GLY466 4.8 13.0 1.0
SG A:CYS354 4.9 24.4 1.0

Iron binding site 5 out of 10 in 9fub

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Iron binding site 5 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:22.4
occ:1.00
 FE2 A:SF4702 0.0 22.4 1.0
SG A:CYS67 2.3 16.1 1.0
S4 A:SF4702 2.3 11.9 1.0
S1 A:SF4702 2.3 10.5 1.0
FE3 A:SF4702 2.8 26.0 1.0
CB A:CYS67 3.1 1.7 1.0
O A:HOH1105 4.1 15.0 1.0
CA A:CYS67 4.6 8.6 1.0
SG A:CYS59 4.8 13.4 1.0
N A:GLY62 4.9 3.0 1.0
CD A:ARG69 4.9 6.9 1.0
CB A:PHE61 5.0 9.6 1.0

Iron binding site 6 out of 10 in 9fub

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Iron binding site 6 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:26.0
occ:1.00
 FE3 A:SF4702 0.0 26.0 1.0
SG A:CYS59 2.3 13.4 1.0
S4 A:SF4702 2.3 11.9 1.0
S1 A:SF4702 2.3 10.5 1.0
FE2 A:SF4702 2.8 22.4 1.0
CB A:CYS59 3.2 0.8 1.0
N A:GLY62 4.1 3.0 1.0
CB A:PHE61 4.4 9.6 1.0
CA A:CYS59 4.7 6.6 1.0
CA A:GLY62 4.7 3.2 1.0
SG A:CYS67 4.9 16.1 1.0
O A:HOH1137 4.9 2.4 1.0
CB A:CYS67 5.0 1.7 1.0

Iron binding site 7 out of 10 in 9fub

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Iron binding site 7 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe703

b:20.4
occ:1.00
 FE1 A:SF4703 0.0 20.4 1.0
SG A:CYS71 2.3 11.3 1.0
S3 A:SF4703 2.3 10.0 1.0
S2 A:SF4703 2.3 8.9 1.0
S4 A:SF4703 2.3 4.7 1.0
FE2 A:SF4703 2.7 20.3 1.0
FE4 A:SF4703 2.7 20.5 1.0
FE3 A:SF4703 2.8 21.6 1.0
CB A:CYS71 3.3 0.0 1.0
N A:CYS71 3.5 0.0 1.0
CA A:CYS71 3.8 8.0 1.0
S1 A:SF4703 3.9 6.4 1.0
C A:CYS71 4.3 6.4 1.0
O A:CYS71 4.3 10.2 1.0
C A:PHE70 4.3 7.0 1.0
CG1 A:ILE220 4.4 5.8 1.0
N A:GLY74 4.5 13.5 1.0
N A:PHE70 4.6 7.5 1.0
SG A:CYS89 4.7 11.2 1.0
CB A:GLN73 4.7 4.8 1.0
SG A:CYS68 4.8 9.2 1.0
SG A:CYS76 4.9 10.2 1.0
N A:GLN73 4.9 9.5 1.0
CA A:PHE70 4.9 10.0 1.0
CB A:ILE220 4.9 5.5 1.0
O A:PHE70 5.0 14.5 1.0

Iron binding site 8 out of 10 in 9fub

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Iron binding site 8 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe703

b:20.3
occ:1.00
 FE2 A:SF4703 0.0 20.3 1.0
SG A:CYS89 2.3 11.2 1.0
S1 A:SF4703 2.3 6.4 1.0
S4 A:SF4703 2.3 4.7 1.0
S3 A:SF4703 2.3 10.0 1.0
FE1 A:SF4703 2.7 20.4 1.0
FE4 A:SF4703 2.7 20.5 1.0
FE3 A:SF4703 2.8 21.6 1.0
CB A:CYS89 3.4 0.0 1.0
S2 A:SF4703 3.9 8.9 1.0
N A:CYS89 4.0 10.2 1.0
O A:HOH950 4.3 12.3 1.0
CB A:ALA91 4.3 7.1 1.0
CA A:CYS89 4.3 7.5 1.0
CG1 A:ILE220 4.4 5.8 1.0
NH1 A:ARG99 4.4 6.3 1.0
SG A:CYS71 4.6 11.3 1.0
SG A:CYS68 4.7 9.2 1.0
N A:ILE88 4.8 11.8 1.0
SG A:CYS76 4.8 10.2 1.0

Iron binding site 9 out of 10 in 9fub

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Iron binding site 9 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe703

b:21.6
occ:1.00
 FE3 A:SF4703 0.0 21.6 1.0
S4 A:SF4703 2.3 4.7 1.0
S1 A:SF4703 2.3 6.4 1.0
S2 A:SF4703 2.3 8.9 1.0
SG A:CYS76 2.3 10.2 1.0
FE4 A:SF4703 2.7 20.5 1.0
FE1 A:SF4703 2.8 20.4 1.0
FE2 A:SF4703 2.8 20.3 1.0
CB A:CYS76 3.1 0.0 1.0
S3 A:SF4703 3.9 10.0 1.0
N A:ILE88 4.1 11.8 1.0
CA A:CYS76 4.3 10.2 1.0
N A:CYS76 4.4 6.8 1.0
CA A:GLY74 4.5 7.3 1.0
O A:CYS68 4.6 11.6 1.0
CB A:ILE88 4.6 7.4 1.0
N A:GLY74 4.6 13.5 1.0
SG A:CYS71 4.7 11.3 1.0
CA A:GLY87 4.7 4.7 1.0
SG A:CYS89 4.7 11.2 1.0
SG A:CYS68 4.7 9.2 1.0
CB A:CYS68 4.8 0.0 1.0
N A:CYS89 4.8 10.2 1.0
C A:GLY87 4.9 9.4 1.0
CA A:ILE88 4.9 9.0 1.0

Iron binding site 10 out of 10 in 9fub

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Iron binding site 10 out of 10 in the Wobbly Codh/Acs in the Carbonylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Wobbly Codh/Acs in the Carbonylated State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe703

b:20.5
occ:1.00
 FE4 A:SF4703 0.0 20.5 1.0
SG A:CYS68 2.3 9.2 1.0
S3 A:SF4703 2.3 10.0 1.0
S2 A:SF4703 2.3 8.9 1.0
S1 A:SF4703 2.3 6.4 1.0
FE3 A:SF4703 2.7 21.6 1.0
FE1 A:SF4703 2.7 20.4 1.0
FE2 A:SF4703 2.7 20.3 1.0
CB A:CYS68 3.2 0.0 1.0
NH1 A:ARG99 3.8 6.3 1.0
N A:PHE70 3.9 7.5 1.0
S4 A:SF4703 3.9 4.7 1.0
C A:CYS68 4.1 2.7 1.0
O A:CYS68 4.1 11.6 1.0
CA A:CYS68 4.2 11.1 1.0
CB A:PHE70 4.3 3.6 1.0
CA A:PHE70 4.5 10.0 1.0
N A:ARG69 4.5 10.2 1.0
N A:CYS71 4.5 0.0 1.0
C A:PHE70 4.7 7.0 1.0
CB A:CYS76 4.8 0.0 1.0
SG A:CYS76 4.8 10.2 1.0
C A:ARG69 4.8 11.6 1.0
CZ A:ARG99 4.9 7.0 1.0
SG A:CYS89 4.9 11.2 1.0
CA A:ARG69 4.9 8.5 1.0
SG A:CYS71 5.0 11.3 1.0

Reference:

J.Ruickoldt, P.Wendler, H.Dobbek. The Codh/Acs Complex Caught in Action To Be Published.
Page generated: Fri Aug 8 06:02:33 2025

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