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Iron in PDB 9iyu: CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition

Enzymatic activity of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition

All present enzymatic activity of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition:
1.2.7.4;

Protein crystallography data

The structure of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition, PDB code: 9iyu was solved by S.Y.Kong, H.J.Yoon, S.M.Kim, H.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.08 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 112.638, 76.281, 72.084, 90, 112.36, 90
R / Rfree (%) 18.6 / 22.2

Other elements in 9iyu:

The structure of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Iron Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iron atom in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition (pdb code 9iyu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 11 binding sites of Iron where determined in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition, PDB code: 9iyu:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 11 in 9iyu

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Iron binding site 1 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:24.0
occ:1.00
 FE1 A:SF4701 0.0 24.0 1.0
S4 A:SF4701 2.2 23.3 1.0
S2 A:SF4701 2.3 25.4 1.0
S3 A:SF4701 2.3 22.2 1.0
SG A:CYS70 2.4 24.1 1.0
FE3 A:SF4701 2.7 24.6 1.0
FE2 A:SF4701 2.7 21.3 1.0
FE4 A:SF4701 2.8 25.3 1.0
CB A:CYS70 3.4 25.1 1.0
N A:CYS70 3.8 26.6 1.0
S1 A:SF4701 3.9 23.0 1.0
NH2 A:ARG80 4.2 22.2 1.0
CA A:CYS70 4.2 25.2 1.0
CB A:ALA72 4.4 23.0 1.0
CG A:MET199 4.5 20.5 1.0
N A:ILE69 4.7 26.4 1.0
SG A:CYS51 4.8 24.9 1.0
SG A:CYS56 4.8 26.0 1.0
SG A:CYS48 4.8 23.0 1.0
C A:ILE69 5.0 28.9 1.0

Iron binding site 2 out of 11 in 9iyu

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Iron binding site 2 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:21.3
occ:1.00
 FE2 A:SF4701 0.0 21.3 1.0
S3 A:SF4701 2.2 22.2 1.0
S1 A:SF4701 2.3 23.0 1.0
S4 A:SF4701 2.3 23.3 1.0
SG A:CYS48 2.4 23.0 1.0
FE3 A:SF4701 2.7 24.6 1.0
FE4 A:SF4701 2.7 25.3 1.0
FE1 A:SF4701 2.7 24.0 1.0
CB A:CYS48 3.4 21.6 1.0
NH2 A:ARG80 3.7 22.2 1.0
S2 A:SF4701 3.8 25.4 1.0
N A:HIS50 3.9 24.1 1.0
C A:CYS48 4.1 25.4 1.0
O A:CYS48 4.2 21.3 1.0
CB A:HIS50 4.2 21.7 1.0
CA A:CYS48 4.4 21.2 1.0
CA A:HIS50 4.5 24.9 1.0
N A:ARG49 4.5 21.6 1.0
N A:CYS51 4.6 24.5 1.0
SG A:CYS56 4.8 26.0 1.0
C A:HIS50 4.8 21.8 1.0
CB A:CYS56 4.8 25.2 1.0
CZ A:ARG80 4.8 24.4 1.0
C A:ARG49 4.9 26.1 1.0
CG A:HIS50 5.0 22.0 1.0
SG A:CYS70 5.0 24.1 1.0
SG A:CYS51 5.0 24.9 1.0

Iron binding site 3 out of 11 in 9iyu

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Iron binding site 3 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:24.6
occ:1.00
 FE3 A:SF4701 0.0 24.6 1.0
S2 A:SF4701 2.2 25.4 1.0
S1 A:SF4701 2.3 23.0 1.0
S4 A:SF4701 2.3 23.3 1.0
SG A:CYS56 2.4 26.0 1.0
FE2 A:SF4701 2.7 21.3 1.0
FE4 A:SF4701 2.7 25.3 1.0
FE1 A:SF4701 2.7 24.0 1.0
CB A:CYS56 3.3 25.2 1.0
S3 A:SF4701 3.8 22.2 1.0
N A:ILE69 4.0 26.4 1.0
CA A:GLY54 4.4 24.3 1.0
N A:CYS56 4.4 24.9 1.0
CA A:CYS56 4.4 25.0 1.0
CB A:ILE69 4.4 28.4 1.0
O A:CYS48 4.5 21.3 1.0
N A:GLY54 4.5 24.9 1.0
SG A:CYS51 4.7 24.9 1.0
N A:CYS70 4.7 26.6 1.0
CA A:GLY68 4.7 25.3 1.0
SG A:CYS48 4.8 23.0 1.0
CA A:ILE69 4.8 27.6 1.0
C A:GLY68 4.8 25.1 1.0
SG A:CYS70 4.8 24.1 1.0
CB A:CYS48 4.9 21.6 1.0
CG1 A:ILE69 5.0 25.8 1.0

Iron binding site 4 out of 11 in 9iyu

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Iron binding site 4 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:25.3
occ:1.00
 FE4 A:SF4701 0.0 25.3 1.0
S1 A:SF4701 2.2 23.0 1.0
S2 A:SF4701 2.3 25.4 1.0
S3 A:SF4701 2.3 22.2 1.0
SG A:CYS51 2.4 24.9 1.0
FE3 A:SF4701 2.7 24.6 1.0
FE2 A:SF4701 2.7 21.3 1.0
FE1 A:SF4701 2.8 24.0 1.0
CB A:CYS51 3.3 23.8 1.0
N A:CYS51 3.7 24.5 1.0
S4 A:SF4701 3.9 23.3 1.0
CA A:CYS51 3.9 25.0 1.0
O A:CYS51 4.2 23.6 1.0
CG A:MET199 4.3 20.5 1.0
C A:CYS51 4.3 23.4 1.0
C A:HIS50 4.3 21.8 1.0
N A:GLY54 4.5 24.9 1.0
CB A:GLN53 4.7 25.2 1.0
N A:HIS50 4.7 24.1 1.0
CB A:MET199 4.8 21.4 1.0
SG A:CYS48 4.9 23.0 1.0
SG A:CYS70 4.9 24.1 1.0
SG A:CYS56 4.9 26.0 1.0
NE2 A:GLN53 4.9 23.5 1.0
N A:GLN53 4.9 23.8 1.0
CA A:HIS50 4.9 24.9 1.0
O A:HIS50 4.9 20.8 1.0
CA A:GLY54 4.9 24.3 1.0

Iron binding site 5 out of 11 in 9iyu

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Iron binding site 5 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:28.0
occ:1.00
 FE1 A:FES702 0.0 28.0 1.0
S1 A:FES702 2.2 27.7 1.0
S2 A:FES702 2.3 26.1 1.0
SG A:CYS47 2.4 25.3 1.0
FE2 A:FES702 2.6 27.5 1.0
CB A:CYS47 3.2 26.7 1.0
O A:HOH959 3.7 28.9 1.0
CA A:CYS47 4.6 21.1 1.0
SG A:CYS39 4.8 25.7 1.0
CB A:PHE41 4.8 28.0 1.0
N A:GLY42 4.9 26.9 1.0

Iron binding site 6 out of 11 in 9iyu

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Iron binding site 6 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:27.5
occ:1.00
 FE2 A:FES702 0.0 27.5 1.0
S2 A:FES702 2.2 26.1 1.0
S1 A:FES702 2.3 27.7 1.0
SG A:CYS39 2.4 25.7 1.0
FE1 A:FES702 2.6 28.0 1.0
CB A:CYS39 3.2 26.5 1.0
N A:GLY42 4.1 26.9 1.0
CB A:PHE41 4.3 28.0 1.0
CA A:CYS39 4.6 27.7 1.0
CA A:GLY42 4.7 26.7 1.0
CD2 A:PHE41 4.8 31.2 1.0
SG A:CYS47 4.9 25.3 1.0

Iron binding site 7 out of 11 in 9iyu

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Iron binding site 7 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe703

b:53.5
occ:0.60
 FE1 A:XCC703 0.0 53.5 0.6
FE A:FE704 1.9 49.1 0.4
S3 A:XCC703 2.3 53.6 0.6
S4 A:XCC703 2.3 46.0 0.6
S2 A:XCC703 2.3 49.7 0.6
SG A:CYS476 2.4 46.9 1.0
FE4 A:XCC703 2.6 58.8 0.6
FE3 A:XCC703 3.0 50.5 0.6
O A:HOH951 3.2 49.5 1.0
FE2 A:XCC703 3.5 55.5 0.6
CB A:CYS476 3.5 36.9 1.0
SG A:CYS294 3.5 38.8 0.3
SG A:CYS294 4.1 47.7 0.7
N A:CYS476 4.1 31.2 1.0
S1 A:XCC703 4.2 54.8 0.6
CA A:CYS446 4.4 34.9 1.0
CB A:SER312 4.4 38.0 1.0
NI A:XCC703 4.4 54.8 0.6
CA A:CYS476 4.4 35.2 1.0
SG A:CYS333 4.5 51.9 1.0
CB A:CYS446 4.6 31.9 1.0
OG A:SER312 4.7 40.6 1.0
O A:GLY445 4.7 29.6 1.0
SG A:CYS295 4.7 39.6 1.0
CB A:CYS294 4.9 38.4 0.3
CB A:CYS333 4.9 42.8 1.0
CB A:CYS294 4.9 38.4 0.7
SG A:CYS526 5.0 41.3 0.5

Iron binding site 8 out of 11 in 9iyu

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Iron binding site 8 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe703

b:55.5
occ:0.60
 FE2 A:XCC703 0.0 55.5 0.6
O A:HOH802 2.1 44.8 1.0
S3 A:XCC703 2.2 53.6 0.6
NE2 A:HIS261 2.4 45.2 1.0
SG A:CYS295 2.7 39.6 1.0
NI A:XCC703 2.9 54.8 0.6
FE4 A:XCC703 3.0 58.8 0.6
CD2 A:HIS261 3.1 39.4 1.0
S4 A:XCC703 3.3 46.0 0.6
SG A:CYS526 3.3 41.3 0.5
S1 A:XCC703 3.4 54.8 0.6
CB A:CYS295 3.4 37.2 1.0
CB A:CYS526 3.5 32.1 0.5
CE1 A:HIS261 3.5 43.4 1.0
FE1 A:XCC703 3.5 53.5 0.6
NZ A:LYS563 3.6 38.6 1.0
CB A:CYS526 3.6 32.2 0.5
SG A:CYS294 3.9 38.8 0.3
SG A:CYS526 4.0 41.7 0.5
FE3 A:XCC703 4.2 50.5 0.6
FE A:FE704 4.3 49.1 0.4
CG A:HIS261 4.3 39.6 1.0
O A:HOH951 4.4 49.5 1.0
O A:HOH944 4.4 32.6 1.0
ND1 A:HIS261 4.4 42.0 1.0
SG A:CYS333 4.5 51.9 1.0
CA A:CYS295 4.6 35.8 1.0
N A:CYS295 4.6 38.7 1.0
N A:CYS526 4.7 27.5 1.0
CA A:CYS526 4.7 29.4 0.5
CA A:CYS526 4.8 29.4 0.5
S2 A:XCC703 4.9 49.7 0.6

Iron binding site 9 out of 11 in 9iyu

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Iron binding site 9 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe703

b:50.5
occ:0.60
 FE3 A:XCC703 0.0 50.5 0.6
S1 A:XCC703 2.3 54.8 0.6
S4 A:XCC703 2.3 46.0 0.6
FE4 A:XCC703 2.4 58.8 0.6
SG A:CYS446 2.4 30.7 1.0
S2 A:XCC703 2.4 49.7 0.6
CB A:CYS446 2.9 31.9 1.0
FE1 A:XCC703 3.0 53.5 0.6
NI A:XCC703 3.2 54.8 0.6
CA A:CYS446 3.3 34.9 1.0
N A:CYS446 3.6 30.6 1.0
C A:GLY445 3.9 32.6 1.0
S3 A:XCC703 4.1 53.6 0.6
FE2 A:XCC703 4.2 55.5 0.6
SG A:CYS333 4.3 51.9 1.0
CB A:HIS561 4.3 24.0 1.0
O A:GLY445 4.4 29.6 1.0
CA A:GLY445 4.5 32.7 1.0
FE A:FE704 4.6 49.1 0.4
SG A:CYS526 4.7 41.3 0.5
C A:CYS446 4.8 30.0 1.0
SG A:CYS476 4.8 46.9 1.0
O A:HOH802 4.9 44.8 1.0

Iron binding site 10 out of 11 in 9iyu

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Iron binding site 10 out of 11 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe703

b:58.8
occ:0.60
 FE4 A:XCC703 0.0 58.8 0.6
SG A:CYS333 2.2 51.9 1.0
S3 A:XCC703 2.3 53.6 0.6
S2 A:XCC703 2.3 49.7 0.6
S1 A:XCC703 2.4 54.8 0.6
FE3 A:XCC703 2.4 50.5 0.6
FE1 A:XCC703 2.6 53.5 0.6
FE2 A:XCC703 3.0 55.5 0.6
S4 A:XCC703 3.3 46.0 0.6
CB A:CYS333 3.4 42.8 1.0
FE A:FE704 3.4 49.1 0.4
NE2 A:HIS261 3.7 45.2 1.0
NI A:XCC703 3.7 54.8 0.6
NZ A:LYS563 3.8 38.6 1.0
O A:HOH802 3.9 44.8 1.0
CE1 A:HIS261 3.9 43.4 1.0
SG A:CYS294 4.0 38.8 0.3
SG A:CYS446 4.5 30.7 1.0
CE A:LYS563 4.7 37.4 1.0
CB A:HIS561 4.7 24.0 1.0
CA A:CYS333 4.8 36.1 1.0
CB A:CYS446 4.8 31.9 1.0
SG A:CYS476 5.0 46.9 1.0
CD2 A:HIS561 5.0 25.9 1.0
CG A:HIS561 5.0 27.3 1.0
CD2 A:HIS261 5.0 39.4 1.0
SG A:CYS294 5.0 47.7 0.7

Reference:

S.Y.Kong, H.J.Yoon, S.M.Kim, H.H.Lee. Air-Viable, Rapid Co Dehydrogenase with A Selectively Sealed Tunnel To Be Published.
Page generated: Sat Aug 23 03:23:59 2025

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