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Iron in PDB 8cja: A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans

Enzymatic activity of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans

All present enzymatic activity of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans:
1.2.7.4; 2.3.1.169;

Protein crystallography data

The structure of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans, PDB code: 8cja was solved by J.Ruickoldt, J.Jeoung, F.Lennartz, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.55 / 2.10
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 142.219, 142.219, 290.773, 90, 90, 120
R / Rfree (%) 17.8 / 20.9

Other elements in 8cja:

The structure of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans also contains other interesting chemical elements:

Nickel (Ni) 3 atoms

Iron Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iron atom in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans (pdb code 8cja). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 14 binding sites of Iron where determined in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans, PDB code: 8cja:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 14 in 8cja

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Iron binding site 1 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe700

b:50.4
occ:0.40
 FE1 A:RQM700 0.0 50.4 0.4
S3 A:RQM700 2.3 58.0 0.7
S4 A:RQM700 2.4 55.0 0.7
SG A:CYS354 2.4 55.2 1.0
S2 A:RQM700 2.4 64.2 1.0
FE3 A:RQM700 2.6 48.5 0.4
FE4 A:RQM700 2.8 56.0 0.9
FE2 A:RQM700 3.2 43.5 0.8
CB A:CYS354 3.3 50.2 1.0
NZ A:LYS583 3.6 52.9 1.0
S1 A:RQM700 3.7 55.7 0.7
NI A:RQM700 3.9 49.6 0.2
CE1 A:HIS282 4.0 46.1 1.0
NE2 A:HIS282 4.1 48.4 1.0
O A:OH704 4.4 49.1 1.0
O A:OH705 4.6 47.1 1.0
CE A:LYS583 4.6 49.7 1.0
SG A:CYS467 4.7 47.2 1.0
OG A:SER581 4.7 34.9 1.0
CE A:MET580 4.7 45.9 1.0
CA A:CYS354 4.8 49.1 1.0
SG A:CYS315 4.9 59.2 0.6
SG A:CYS497 4.9 55.8 1.0
SG A:CYS315 4.9 52.8 0.4

Iron binding site 2 out of 14 in 8cja

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Iron binding site 2 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe700

b:43.5
occ:0.81
 FE2 A:RQM700 0.0 43.5 0.8
O A:OH705 1.9 47.1 1.0
NE2 A:HIS282 2.2 48.4 1.0
SG A:CYS316 2.3 46.5 1.0
S3 A:RQM700 2.3 58.0 0.7
NI A:RQM700 2.5 49.6 0.2
SG A:CYS546 3.0 44.3 0.5
CE1 A:HIS282 3.1 46.1 1.0
S4 A:RQM700 3.1 55.0 0.7
CB A:CYS546 3.1 41.1 0.5
CD2 A:HIS282 3.2 45.1 1.0
CB A:CYS546 3.2 41.2 0.3
FE1 A:RQM700 3.2 50.4 0.4
CB A:CYS316 3.3 42.9 1.0
NZ A:LYS583 3.4 52.9 1.0
CB A:CYS546 3.5 41.2 0.2
SG A:CYS546 3.6 44.8 0.2
S1 A:RQM700 3.8 55.7 0.7
SG A:CYS546 3.9 41.7 0.3
FE4 A:RQM700 4.1 56.0 0.9
ND1 A:HIS282 4.2 44.6 1.0
CG A:HIS282 4.3 46.1 1.0
CA A:CYS546 4.4 39.7 0.5
N A:CYS546 4.4 39.5 0.5
O A:OH704 4.4 49.1 1.0
N A:CYS546 4.4 39.6 0.3
FE3 A:RQM700 4.4 48.5 0.4
N A:CYS546 4.4 38.6 0.2
CA A:CYS316 4.4 43.5 1.0
CA A:CYS546 4.5 39.8 0.3
O A:HOH795 4.5 39.2 1.0
N A:CYS316 4.5 44.6 1.0
CA A:CYS546 4.6 39.7 0.2
CE A:LYS583 4.8 49.7 1.0
SG A:CYS354 4.8 55.2 1.0
SG A:CYS315 4.9 52.8 0.4

Iron binding site 3 out of 14 in 8cja

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Iron binding site 3 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe700

b:48.5
occ:0.43
 FE3 A:RQM700 0.0 48.5 0.4
S4 A:RQM700 2.3 55.0 0.7
S2 A:RQM700 2.3 64.2 1.0
S1 A:RQM700 2.3 55.7 0.7
SG A:CYS467 2.6 47.2 1.0
FE1 A:RQM700 2.6 50.4 0.4
O A:OH704 2.8 49.1 1.0
FE4 A:RQM700 2.9 56.0 0.9
CB A:CYS467 3.3 51.2 1.0
NI A:RQM700 3.4 49.6 0.2
CA A:CYS467 3.6 49.7 1.0
N A:CYS467 3.9 50.8 1.0
C A:GLY466 3.9 46.7 1.0
S3 A:RQM700 4.0 58.0 0.7
OG A:SER581 4.1 34.9 1.0
O A:GLY466 4.2 44.4 1.0
CA A:GLY466 4.3 44.0 1.0
FE2 A:RQM700 4.4 43.5 0.8
SG A:CYS546 4.5 44.8 0.2
SG A:CYS354 4.5 55.2 1.0
CE A:MET580 4.8 45.9 1.0
SG A:CYS497 4.9 55.8 1.0
CB A:SER581 5.0 34.6 1.0

Iron binding site 4 out of 14 in 8cja

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Iron binding site 4 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe700

b:56.0
occ:0.88
 FE4 A:RQM700 0.0 56.0 0.9
SG A:CYS497 2.2 55.8 1.0
S2 A:RQM700 2.3 64.2 1.0
S3 A:RQM700 2.4 58.0 0.7
S1 A:RQM700 2.5 55.7 0.7
FE1 A:RQM700 2.8 50.4 0.4
FE3 A:RQM700 2.9 48.5 0.4
CB A:CYS497 3.3 45.6 1.0
N A:CYS497 3.8 40.1 1.0
SG A:CYS315 4.0 59.2 0.6
S4 A:RQM700 4.1 55.0 0.7
FE2 A:RQM700 4.1 43.5 0.8
CA A:CYS497 4.1 43.2 1.0
NI A:RQM700 4.3 49.6 0.2
CB A:PHE333 4.3 53.0 1.0
O A:GLY466 4.5 44.4 1.0
CA A:CYS467 4.5 49.7 1.0
SG A:CYS316 4.6 46.5 1.0
SG A:CYS546 4.8 44.8 0.2
C A:GLY496 4.8 40.1 1.0
C A:GLY466 4.9 46.7 1.0
CB A:CYS315 4.9 51.2 0.6
CB A:CYS467 4.9 51.2 1.0
O A:OH704 5.0 49.1 1.0

Iron binding site 5 out of 14 in 8cja

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Iron binding site 5 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:33.0
occ:1.00
 FE1 A:SF4702 0.0 33.0 1.0
S2 A:SF4702 2.2 33.2 1.0
SG A:CYS71 2.3 35.5 1.0
S3 A:SF4702 2.3 32.7 1.0
S4 A:SF4702 2.3 33.0 1.0
FE3 A:SF4702 2.7 33.7 1.0
FE4 A:SF4702 2.7 34.4 1.0
FE2 A:SF4702 2.8 33.6 1.0
CB A:CYS71 3.2 31.0 1.0
N A:CYS71 3.6 34.3 1.0
CD1 A:ILE220 3.6 44.7 1.0
CA A:CYS71 3.8 31.7 1.0
S1 A:SF4702 3.9 33.3 1.0
O A:CYS71 4.2 37.6 1.0
C A:CYS71 4.2 35.6 1.0
C A:PHE70 4.3 33.7 1.0
N A:GLY74 4.6 37.7 1.0
CB A:GLN73 4.7 41.2 1.0
SG A:CYS89 4.7 38.7 1.0
N A:PHE70 4.7 34.5 1.0
CG1 A:ILE220 4.8 38.0 1.0
SG A:CYS68 4.8 32.4 1.0
N A:GLN73 4.9 37.5 1.0
SG A:CYS76 4.9 36.0 1.0
O A:PHE70 4.9 34.1 1.0
CB A:ILE220 4.9 36.7 1.0
CA A:PHE70 5.0 34.4 1.0

Iron binding site 6 out of 14 in 8cja

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Iron binding site 6 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:33.6
occ:1.00
 FE2 A:SF4702 0.0 33.6 1.0
SG A:CYS89 2.2 38.7 1.0
S1 A:SF4702 2.2 33.3 1.0
S4 A:SF4702 2.3 33.0 1.0
S3 A:SF4702 2.3 32.7 1.0
FE4 A:SF4702 2.7 34.4 1.0
FE3 A:SF4702 2.7 33.7 1.0
FE1 A:SF4702 2.8 33.0 1.0
CB A:CYS89 3.3 41.8 1.0
N A:CYS89 3.8 35.6 1.0
S2 A:SF4702 3.9 33.2 1.0
CD1 A:ILE220 3.9 44.7 1.0
O A:HOH745 4.1 34.5 1.0
CA A:CYS89 4.2 42.3 1.0
CB A:ALA91 4.3 40.5 1.0
NH2 A:ARG99 4.3 38.8 1.0
N A:ILE88 4.5 36.8 1.0
SG A:CYS71 4.6 35.5 1.0
SG A:CYS68 4.7 32.4 1.0
SG A:CYS76 4.8 36.0 1.0
CG1 A:ILE220 4.8 38.0 1.0
CA A:GLY87 4.8 35.6 1.0
C A:GLY87 4.8 37.8 1.0
N A:ALA91 4.9 36.0 1.0
C A:CYS89 4.9 43.3 1.0
C A:ILE88 5.0 40.5 1.0

Iron binding site 7 out of 14 in 8cja

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Iron binding site 7 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:33.7
occ:1.00
 FE3 A:SF4702 0.0 33.7 1.0
S4 A:SF4702 2.2 33.0 1.0
S2 A:SF4702 2.3 33.2 1.0
S1 A:SF4702 2.3 33.3 1.0
SG A:CYS76 2.3 36.0 1.0
FE4 A:SF4702 2.7 34.4 1.0
FE1 A:SF4702 2.7 33.0 1.0
FE2 A:SF4702 2.7 33.6 1.0
CB A:CYS76 3.2 32.9 1.0
S3 A:SF4702 3.9 32.7 1.0
N A:ILE88 4.0 36.8 1.0
N A:CYS76 4.3 36.9 1.0
CA A:CYS76 4.4 36.4 1.0
CA A:GLY74 4.5 37.6 1.0
CA A:GLY87 4.5 35.6 1.0
CB A:ILE88 4.6 38.0 1.0
SG A:CYS71 4.6 35.5 1.0
N A:GLY74 4.6 37.7 1.0
O A:CYS68 4.6 35.0 1.0
SG A:CYS68 4.7 32.4 1.0
C A:GLY87 4.7 37.8 1.0
N A:CYS89 4.8 35.6 1.0
SG A:CYS89 4.8 38.7 1.0
CB A:CYS68 4.8 33.0 1.0
CA A:ILE88 4.8 40.5 1.0
CD1 A:ILE88 4.9 39.7 1.0
CG1 A:ILE88 5.0 39.1 1.0

Iron binding site 8 out of 14 in 8cja

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Iron binding site 8 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:34.4
occ:1.00
 FE4 A:SF4702 0.0 34.4 1.0
S3 A:SF4702 2.2 32.7 1.0
SG A:CYS68 2.3 32.4 1.0
S1 A:SF4702 2.3 33.3 1.0
S2 A:SF4702 2.3 33.2 1.0
FE3 A:SF4702 2.7 33.7 1.0
FE2 A:SF4702 2.7 33.6 1.0
FE1 A:SF4702 2.7 33.0 1.0
CB A:CYS68 3.2 33.0 1.0
NH2 A:ARG99 3.8 38.8 1.0
S4 A:SF4702 3.9 33.0 1.0
N A:PHE70 3.9 34.5 1.0
C A:CYS68 4.1 35.9 1.0
O A:CYS68 4.2 35.0 1.0
CA A:CYS68 4.3 34.3 1.0
CB A:PHE70 4.4 34.0 1.0
CA A:PHE70 4.5 34.4 1.0
N A:ARG69 4.5 34.0 1.0
N A:CYS71 4.6 34.3 1.0
C A:PHE70 4.7 33.7 1.0
SG A:CYS76 4.8 36.0 1.0
SG A:CYS89 4.8 38.7 1.0
CZ A:ARG99 4.8 41.2 1.0
CB A:CYS76 4.8 32.9 1.0
C A:ARG69 4.9 36.4 1.0
SG A:CYS71 4.9 35.5 1.0

Iron binding site 9 out of 14 in 8cja

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Iron binding site 9 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:35.5
occ:1.00
 FE2 A:SF4701 0.0 35.5 1.0
S1 A:SF4701 2.2 37.6 1.0
SG A:CYS67 2.3 37.7 1.0
S4 A:SF4701 2.3 38.1 1.0
FE3 A:SF4701 2.6 37.1 1.0
CB A:CYS67 3.1 36.4 1.0
CA A:CYS67 4.6 36.1 1.0
SG A:CYS59 4.7 41.6 1.0
N A:GLY62 4.9 37.6 1.0
CB A:PRO75 4.9 39.6 1.0
CB A:PHE61 5.0 39.5 1.0

Iron binding site 10 out of 14 in 8cja

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Iron binding site 10 out of 14 in the A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of A225L/F231A Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:37.1
occ:1.00
 FE3 A:SF4701 0.0 37.1 1.0
S4 A:SF4701 2.2 38.1 1.0
SG A:CYS59 2.3 41.6 1.0
S1 A:SF4701 2.3 37.6 1.0
FE2 A:SF4701 2.6 35.5 1.0
CB A:CYS59 3.3 37.7 1.0
N A:GLY62 4.2 37.6 1.0
CB A:PHE61 4.4 39.5 1.0
CA A:CYS59 4.7 36.5 1.0
CA A:GLY62 4.7 36.8 1.0
SG A:CYS67 4.7 37.7 1.0
CB A:CYS67 4.9 36.4 1.0

Reference:

J.Ruickoldt, J.Jeoung, F.Lennartz, H.Dobbek. A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans To Be Published.
Page generated: Fri Aug 9 21:19:07 2024

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