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Iron in PDB 9iyv: CHCODH2 Wt in 2HOUR Air Exposure Condition

Enzymatic activity of CHCODH2 Wt in 2HOUR Air Exposure Condition

All present enzymatic activity of CHCODH2 Wt in 2HOUR Air Exposure Condition:
1.2.7.4;

Protein crystallography data

The structure of CHCODH2 Wt in 2HOUR Air Exposure Condition, PDB code: 9iyv 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) 34.15 / 2.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.941, 76.028, 71.124, 90, 111.42, 90
R / Rfree (%) 19.3 / 26.5

Iron Binding Sites:

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

Iron binding site 1 out of 8 in 9iyv

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Iron binding site 1 out of 8 in the CHCODH2 Wt in 2HOUR 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 Wt in 2HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:47.6
occ:1.00
 FE1 A:SF4701 0.0 47.6 1.0
SG A:CYS70 2.3 45.7 1.0
S4 A:SF4701 2.3 49.4 1.0
S2 A:SF4701 2.3 54.5 1.0
S3 A:SF4701 2.3 45.5 1.0
FE3 A:SF4701 2.7 49.1 1.0
FE4 A:SF4701 2.7 49.8 1.0
FE2 A:SF4701 2.8 47.8 1.0
CB A:CYS70 3.3 48.7 1.0
N A:CYS70 3.8 48.4 1.0
S1 A:SF4701 3.9 47.9 1.0
CA A:CYS70 4.2 47.0 1.0
NH2 A:ARG80 4.3 41.8 1.0
CB A:ALA72 4.5 45.7 1.0
CG A:MET199 4.6 55.4 1.0
SG A:CYS51 4.6 53.4 1.0
N A:ILE69 4.6 49.5 1.0
SG A:CYS56 4.7 55.1 1.0
SG A:CYS48 4.9 45.9 1.0
C A:ILE69 5.0 54.9 1.0

Iron binding site 2 out of 8 in 9iyv

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Iron binding site 2 out of 8 in the CHCODH2 Wt in 2HOUR 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 Wt in 2HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:47.8
occ:1.00
 FE2 A:SF4701 0.0 47.8 1.0
S1 A:SF4701 2.3 47.9 1.0
S4 A:SF4701 2.3 49.4 1.0
S3 A:SF4701 2.3 45.5 1.0
SG A:CYS48 2.3 45.9 1.0
FE4 A:SF4701 2.8 49.8 1.0
FE3 A:SF4701 2.8 49.1 1.0
FE1 A:SF4701 2.8 47.6 1.0
CB A:CYS48 3.4 45.8 1.0
NH2 A:ARG80 3.8 41.8 1.0
S2 A:SF4701 3.9 54.5 1.0
N A:HIS50 4.0 50.9 1.0
C A:CYS48 4.2 58.8 1.0
O A:CYS48 4.3 57.2 1.0
CB A:HIS50 4.4 49.1 1.0
CA A:CYS48 4.5 55.1 1.0
N A:ARG49 4.5 59.2 1.0
CA A:HIS50 4.6 52.7 1.0
N A:CYS51 4.7 52.7 1.0
SG A:CYS56 4.7 55.1 1.0
CB A:CYS56 4.8 49.2 1.0
SG A:CYS70 4.8 45.7 1.0
SG A:CYS51 4.9 53.4 1.0
C A:ARG49 4.9 54.1 1.0
CG A:HIS50 4.9 48.9 1.0
C A:HIS50 4.9 48.6 1.0
CA A:ARG49 5.0 57.6 1.0
CZ A:ARG80 5.0 44.3 1.0

Iron binding site 3 out of 8 in 9iyv

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Iron binding site 3 out of 8 in the CHCODH2 Wt in 2HOUR 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 Wt in 2HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:49.1
occ:1.00
 FE3 A:SF4701 0.0 49.1 1.0
S2 A:SF4701 2.2 54.5 1.0
SG A:CYS56 2.3 55.1 1.0
S4 A:SF4701 2.3 49.4 1.0
S1 A:SF4701 2.3 47.9 1.0
FE1 A:SF4701 2.7 47.6 1.0
FE4 A:SF4701 2.7 49.8 1.0
FE2 A:SF4701 2.8 47.8 1.0
CB A:CYS56 3.2 49.2 1.0
S3 A:SF4701 3.9 45.5 1.0
N A:ILE69 4.0 49.5 1.0
CA A:GLY54 4.3 55.6 1.0
CB A:ILE69 4.3 53.0 1.0
CA A:CYS56 4.4 54.1 1.0
N A:CYS56 4.4 56.7 1.0
N A:GLY54 4.5 53.1 1.0
O A:CYS48 4.6 57.2 1.0
SG A:CYS51 4.7 53.4 1.0
CA A:GLY68 4.7 51.5 1.0
SG A:CYS70 4.7 45.7 1.0
SG A:CYS48 4.7 45.9 1.0
N A:CYS70 4.7 48.4 1.0
CG1 A:ILE69 4.7 54.8 1.0
CA A:ILE69 4.7 55.7 1.0
C A:GLY68 4.8 56.4 1.0
CD1 A:ILE69 4.9 55.6 1.0

Iron binding site 4 out of 8 in 9iyv

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Iron binding site 4 out of 8 in the CHCODH2 Wt in 2HOUR 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 Wt in 2HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:49.8
occ:1.00
 FE4 A:SF4701 0.0 49.8 1.0
SG A:CYS51 2.2 53.4 1.0
S2 A:SF4701 2.3 54.5 1.0
S1 A:SF4701 2.3 47.9 1.0
S3 A:SF4701 2.3 45.5 1.0
FE3 A:SF4701 2.7 49.1 1.0
FE1 A:SF4701 2.7 47.6 1.0
FE2 A:SF4701 2.8 47.8 1.0
CB A:CYS51 3.4 49.2 1.0
N A:CYS51 3.7 52.7 1.0
S4 A:SF4701 3.9 49.4 1.0
CA A:CYS51 4.0 56.8 1.0
O A:CYS51 4.1 52.3 1.0
C A:CYS51 4.3 51.4 1.0
CG A:MET199 4.4 55.4 1.0
N A:GLY54 4.4 53.1 1.0
C A:HIS50 4.5 48.6 1.0
SG A:CYS70 4.8 45.7 1.0
N A:HIS50 4.8 50.9 1.0
CB A:MET199 4.8 49.1 1.0
CB A:GLN53 4.8 53.7 1.0
SG A:CYS56 4.8 55.1 1.0
CA A:GLY54 4.9 55.6 1.0
SG A:CYS48 4.9 45.9 1.0
OE1 A:GLN53 5.0 56.2 1.0

Iron binding site 5 out of 8 in 9iyv

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Iron binding site 5 out of 8 in the CHCODH2 Wt in 2HOUR 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 Wt in 2HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:95.1
occ:0.74
 SG A:CYS295 2.4 65.2 1.0
FE A:FE704 2.8 95.3 0.9
NE2 A:HIS261 2.8 71.5 1.0
FE A:FE705 2.9 99.4 0.9
O A:HOH807 3.1 64.8 1.0
CE1 A:HIS261 3.3 70.8 1.0
CB A:CYS295 3.4 63.5 1.0
FE A:FE703 3.8 96.1 0.8
CD2 A:HIS261 3.9 63.7 1.0
CB A:CYS526 4.0 66.7 1.0
N A:CYS295 4.3 65.3 1.0
ND1 A:HIS261 4.3 61.3 1.0
SG A:CYS476 4.3 71.3 1.0
CA A:CYS295 4.4 65.6 1.0
CA A:GLY475 4.4 55.4 1.0
N A:CYS476 4.5 61.0 1.0
SG A:CYS526 4.6 79.0 1.0
CG A:HIS261 4.7 63.9 1.0
SG A:CYS333 4.7 82.5 1.0
N A:CYS526 4.7 59.1 1.0
CA A:CYS526 4.9 58.1 1.0
NZ A:LYS563 4.9 64.9 1.0
C A:GLY475 4.9 53.9 1.0

Iron binding site 6 out of 8 in 9iyv

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Iron binding site 6 out of 8 in the CHCODH2 Wt in 2HOUR 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 Wt in 2HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe703

b:96.1
occ:0.80
 SG A:CYS333 2.8 82.5 1.0
SG A:CYS446 3.0 60.0 1.0
CB A:CYS446 3.1 66.7 1.0
FE A:FE704 3.5 95.3 0.9
FE A:FE705 3.6 99.4 0.9
FE A:FE702 3.8 95.1 0.7
CA A:CYS446 4.1 70.5 1.0
CB A:CYS333 4.1 67.3 1.0
CB A:HIS561 4.3 48.2 1.0
N A:CYS446 4.5 63.2 1.0
CE1 A:HIS261 4.7 70.8 1.0
NE2 A:HIS261 4.7 71.5 1.0
NZ A:LYS563 4.7 64.9 1.0
SG A:CYS476 4.9 71.3 1.0
CG A:HIS561 4.9 54.4 1.0

Iron binding site 7 out of 8 in 9iyv

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Iron binding site 7 out of 8 in the CHCODH2 Wt in 2HOUR 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 Wt in 2HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe704

b:95.3
occ:0.88
 SG A:CYS476 2.6 71.3 1.0
SG A:CYS294 2.8 75.2 1.0
FE A:FE702 2.8 95.1 0.7
O A:HOH807 3.0 64.8 1.0
CB A:CYS294 3.5 67.9 1.0
FE A:FE703 3.5 96.1 0.8
CA A:CYS294 3.9 68.8 1.0
CE1 A:HIS261 4.2 70.8 1.0
CB A:CYS333 4.2 67.3 1.0
CB A:CYS476 4.2 63.6 1.0
SG A:CYS333 4.2 82.5 1.0
N A:CYS295 4.3 65.3 1.0
C A:CYS294 4.5 68.5 1.0
SG A:CYS295 4.5 65.2 1.0
CB A:SER312 4.6 66.6 1.0
NE2 A:HIS261 4.6 71.5 1.0
OG A:SER312 4.6 60.8 1.0
N A:CYS476 4.8 61.0 1.0
CA A:SER312 4.8 60.9 1.0
N A:SER312 4.8 59.5 1.0
CB A:CYS295 5.0 63.5 1.0
CA A:CYS476 5.0 60.0 1.0

Iron binding site 8 out of 8 in 9iyv

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Iron binding site 8 out of 8 in the CHCODH2 Wt in 2HOUR 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 Wt in 2HOUR Air Exposure Condition within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe705

b:99.4
occ:0.93
 SG A:CYS526 2.3 79.0 1.0
CB A:CYS526 2.9 66.7 1.0
FE A:FE702 2.9 95.1 0.7
NE2 A:HIS261 3.5 71.5 1.0
FE A:FE703 3.6 96.1 0.8
NZ A:LYS563 3.9 64.9 1.0
CA A:CYS526 4.2 58.1 1.0
CD2 A:HIS261 4.4 63.7 1.0
SG A:CYS295 4.4 65.2 1.0
CE1 A:HIS261 4.5 70.8 1.0
O A:HOH802 4.6 57.4 1.0
CD A:LYS563 4.7 57.3 1.0
CB A:LYS563 4.7 46.1 1.0
CE A:LYS563 4.7 62.3 1.0
NE2 A:HIS93 4.8 54.2 1.0
N A:CYS526 4.9 59.1 1.0
CA A:GLY445 4.9 59.6 1.0
SG A:CYS446 4.9 60.0 1.0
SG A:CYS333 5.0 82.5 1.0

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 03:27:19 2025

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