Iron in PDB 9iyo: CHCODH2 A559W_V610W Mutant

All present enzymatic activity of CHCODH2 A559W_V610W Mutant:
1.2.7.4;

The structure of CHCODH2 A559W_V610W Mutant, PDB code: 9iyo 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)	33.19 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.041, 75.481, 71.501, 90, 111.81, 90
R / Rfree (%)	16.7 / 22

The structure of CHCODH2 A559W_V610W Mutant also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

Pages:

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

Binding sites:

The binding sites of Iron atom in the CHCODH2 A559W_V610W Mutant (pdb code 9iyo). 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_V610W Mutant, PDB code: 9iyo:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:17.4 occ:1.00 FE1 A:SF4701 0.0 17.4 1.0 S4 A:SF4701 2.2 17.8 1.0 S2 A:SF4701 2.3 18.2 1.0 S3 A:SF4701 2.3 15.1 1.0 SG A:CYS70 2.4 18.9 1.0 FE2 A:SF4701 2.7 17.4 1.0 FE3 A:SF4701 2.7 18.1 1.0 FE4 A:SF4701 2.7 18.0 1.0 CB A:CYS70 3.4 15.1 1.0 N A:CYS70 3.8 17.8 1.0 S1 A:SF4701 3.9 15.4 1.0 O A:HOH952 4.1 16.3 1.0 NH2 A:ARG80 4.2 14.9 1.0 CA A:CYS70 4.2 14.2 1.0 CB A:ALA72 4.5 17.0 1.0 CG A:MET199 4.6 19.8 1.0 N A:ILE69 4.6 16.2 1.0 SG A:CYS51 4.8 17.8 1.0 SG A:CYS48 4.8 16.3 1.0 SG A:CYS56 4.8 19.5 1.0 C A:ILE69 4.9 20.0 1.0 C A:GLY68 5.0 17.0 1.0

Iron binding site 2 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:17.4 occ:1.00 FE2 A:SF4701 0.0 17.4 1.0 S3 A:SF4701 2.2 15.1 1.0 S1 A:SF4701 2.3 15.4 1.0 S4 A:SF4701 2.3 17.8 1.0 SG A:CYS48 2.4 16.3 1.0 FE4 A:SF4701 2.7 18.0 1.0 FE3 A:SF4701 2.7 18.1 1.0 FE1 A:SF4701 2.7 17.4 1.0 CB A:CYS48 3.3 15.2 1.0 NH2 A:ARG80 3.7 14.9 1.0 S2 A:SF4701 3.9 18.2 1.0 N A:HIS50 3.9 18.0 1.0 O A:CYS48 4.2 13.1 1.0 C A:CYS48 4.2 18.5 1.0 CB A:HIS50 4.3 18.2 1.0 CA A:CYS48 4.4 19.4 1.0 N A:CYS51 4.5 11.3 1.0 CA A:HIS50 4.5 18.0 1.0 N A:ARG49 4.6 16.9 1.0 C A:HIS50 4.7 14.8 1.0 SG A:CYS56 4.8 19.5 1.0 CZ A:ARG80 4.9 19.6 1.0 C A:ARG49 4.9 23.2 1.0 CB A:CYS56 4.9 15.8 1.0 SG A:CYS70 4.9 18.9 1.0 SG A:CYS51 5.0 17.8 1.0

Iron binding site 3 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:18.1 occ:1.00 FE3 A:SF4701 0.0 18.1 1.0 S2 A:SF4701 2.2 18.2 1.0 S1 A:SF4701 2.3 15.4 1.0 S4 A:SF4701 2.3 17.8 1.0 SG A:CYS56 2.4 19.5 1.0 FE4 A:SF4701 2.7 18.0 1.0 FE2 A:SF4701 2.7 17.4 1.0 FE1 A:SF4701 2.7 17.4 1.0 CB A:CYS56 3.3 15.8 1.0 S3 A:SF4701 3.9 15.1 1.0 N A:ILE69 4.0 16.2 1.0 CB A:ILE69 4.4 19.8 1.0 CA A:GLY54 4.4 16.1 1.0 CA A:CYS56 4.5 19.5 1.0 N A:CYS56 4.5 15.7 1.0 N A:GLY54 4.5 18.5 1.0 O A:CYS48 4.6 13.1 1.0 N A:CYS70 4.7 17.8 1.0 SG A:CYS51 4.7 17.8 1.0 CA A:ILE69 4.7 17.0 1.0 CA A:GLY68 4.7 16.6 1.0 SG A:CYS48 4.7 16.3 1.0 C A:GLY68 4.8 17.0 1.0 SG A:CYS70 4.8 18.9 1.0 CB A:CYS48 4.8 15.2 1.0 CG1 A:ILE69 4.9 19.7 1.0

Iron binding site 4 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:18.0 occ:1.00 FE4 A:SF4701 0.0 18.0 1.0 S1 A:SF4701 2.2 15.4 1.0 S3 A:SF4701 2.3 15.1 1.0 S2 A:SF4701 2.3 18.2 1.0 SG A:CYS51 2.4 17.8 1.0 FE2 A:SF4701 2.7 17.4 1.0 FE3 A:SF4701 2.7 18.1 1.0 FE1 A:SF4701 2.7 17.4 1.0 CB A:CYS51 3.3 16.1 1.0 N A:CYS51 3.6 11.3 1.0 CA A:CYS51 3.9 20.6 1.0 S4 A:SF4701 3.9 17.8 1.0 O A:CYS51 4.2 15.9 1.0 C A:CYS51 4.3 15.9 1.0 C A:HIS50 4.3 14.8 1.0 CG A:MET199 4.4 19.8 1.0 N A:GLY54 4.5 18.5 1.0 CB A:GLN53 4.6 19.2 1.0 N A:HIS50 4.8 18.0 1.0 CB A:MET199 4.8 18.0 1.0 SG A:CYS70 4.9 18.9 1.0 SG A:CYS48 4.9 16.3 1.0 N A:GLN53 4.9 18.0 1.0 SG A:CYS56 4.9 19.5 1.0 OE1 A:GLN53 4.9 22.8 1.0 O A:HIS50 5.0 17.1 1.0 CA A:GLY54 5.0 16.1 1.0

Iron binding site 5 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:19.5 occ:1.00 FE1 A:FES702 0.0 19.5 1.0 S2 A:FES702 2.2 18.1 1.0 S1 A:FES702 2.2 19.1 1.0 SG A:CYS47 2.3 16.6 1.0 FE2 A:FES702 2.7 19.8 1.0 CB A:CYS47 3.2 21.7 1.0 O A:HOH1007 3.9 20.8 1.0 CA A:CYS47 4.6 19.5 1.0 SG A:CYS39 4.8 18.9 1.0 N A:GLY42 4.9 21.5 1.0 CB A:PHE41 4.9 18.9 1.0

Iron binding site 6 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:19.8 occ:1.00 FE2 A:FES702 0.0 19.8 1.0 S2 A:FES702 2.2 18.1 1.0 S1 A:FES702 2.2 19.1 1.0 SG A:CYS39 2.4 18.9 1.0 FE1 A:FES702 2.7 19.5 1.0 CB A:CYS39 3.2 18.4 1.0 N A:GLY42 4.1 21.5 1.0 CB A:PHE41 4.3 18.9 1.0 CA A:CYS39 4.6 18.4 1.0 CA A:GLY42 4.7 21.8 1.0 CD2 A:PHE41 4.7 23.2 1.0 SG A:CYS47 4.8 16.6 1.0 C A:PHE41 5.0 21.8 1.0 CB A:CYS47 5.0 21.7 1.0

Iron binding site 7 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:33.1 occ:0.73 FE1 A:XCC703 0.0 33.1 0.7 FE A:FE704 2.0 33.7 0.4 S4 A:XCC703 2.3 32.4 0.7 S3 A:XCC703 2.3 34.3 0.7 SG A:CYS476 2.3 31.8 1.0 S2 A:XCC703 2.3 31.1 0.7 FE4 A:XCC703 2.6 34.3 0.7 FE3 A:XCC703 2.9 27.7 0.7 CB A:CYS476 3.4 25.9 1.0 O A:HOH1000 3.5 34.5 1.0 FE2 A:XCC703 3.6 40.6 0.7 SG A:CYS294 3.6 30.2 0.4 NI A:XCC703 3.9 35.3 0.7 N A:CYS476 4.0 22.3 1.0 S1 A:XCC703 4.1 33.8 0.7 CA A:CYS446 4.2 23.7 1.0 SG A:CYS294 4.3 34.5 0.6 CA A:CYS476 4.3 26.4 1.0 CB A:CYS446 4.4 23.0 1.0 OG A:SER312 4.5 26.2 1.0 CB A:SER312 4.6 28.3 1.0 SG A:CYS526 4.7 28.8 0.6 O A:GLY445 4.7 20.8 1.0 SG A:CYS333 4.7 32.8 1.0 SG A:CYS295 4.8 28.4 1.0 NE2 A:HIS261 4.9 34.3 1.0 SG A:CYS446 4.9 22.6 1.0 N A:CYS446 4.9 24.6 1.0 C A:GLY445 4.9 22.3 1.0 C A:GLY475 5.0 25.0 1.0 CB A:CYS294 5.0 28.0 0.4 CB A:CYS333 5.0 26.8 1.0

Iron binding site 8 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:40.6 occ:0.73 FE2 A:XCC703 0.0 40.6 0.7 NE2 A:HIS261 2.0 34.3 1.0 S3 A:XCC703 2.2 34.3 0.7 O A:HOH802 2.6 38.0 0.8 SG A:CYS295 2.7 28.4 1.0 CD2 A:HIS261 2.7 24.9 1.0 NI A:XCC703 2.9 35.3 0.7 SG A:CYS526 3.1 28.8 0.6 CE1 A:HIS261 3.1 29.5 1.0 FE4 A:XCC703 3.2 34.3 0.7 CB A:CYS295 3.3 25.4 1.0 FE1 A:XCC703 3.6 33.1 0.7 CB A:CYS526 3.6 25.1 0.4 S1 A:XCC703 3.7 33.8 0.7 S4 A:XCC703 3.7 32.4 0.7 NZ A:LYS563 3.7 29.0 1.0 CB A:CYS526 3.7 25.4 0.6 SG A:CYS294 3.8 30.2 0.4 SG A:CYS526 3.9 35.3 0.4 CG A:HIS261 3.9 28.2 1.0 ND1 A:HIS261 4.1 27.4 1.0 FE A:FE704 4.2 33.7 0.4 SG A:CYS333 4.4 32.8 1.0 FE3 A:XCC703 4.5 27.7 0.7 CA A:CYS295 4.5 21.0 1.0 N A:CYS295 4.5 22.0 1.0 O A:HOH1000 4.5 34.5 1.0 O A:HOH986 4.6 21.4 1.0 N A:CYS526 4.7 21.1 0.4 N A:CYS526 4.7 21.1 0.6 CA A:CYS526 4.8 22.7 0.4 CA A:CYS526 4.9 22.7 0.6

Iron binding site 9 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:27.7 occ:0.73 FE3 A:XCC703 0.0 27.7 0.7 S1 A:XCC703 2.2 33.8 0.7 SG A:CYS446 2.3 22.6 1.0 S4 A:XCC703 2.3 32.4 0.7 S2 A:XCC703 2.4 31.1 0.7 FE4 A:XCC703 2.4 34.3 0.7 CB A:CYS446 2.8 23.0 1.0 FE1 A:XCC703 2.9 33.1 0.7 NI A:XCC703 3.0 35.3 0.7 CA A:CYS446 3.3 23.7 1.0 N A:CYS446 3.5 24.6 1.0 C A:GLY445 4.0 22.3 1.0 S3 A:XCC703 4.1 34.3 0.7 CB A:HIS561 4.3 15.3 1.0 SG A:CYS333 4.3 32.8 1.0 FE2 A:XCC703 4.5 40.6 0.7 FE A:FE704 4.5 33.7 0.4 O A:GLY445 4.5 20.8 1.0 CA A:GLY445 4.5 19.2 1.0 SG A:CYS526 4.6 28.8 0.6 CE A:MET560 4.7 22.8 1.0 C A:CYS446 4.8 20.7 1.0 SG A:CYS476 4.8 31.8 1.0 SG A:CYS526 4.9 35.3 0.4 N A:HIS561 4.9 14.9 1.0 CB A:ALA564 5.0 19.0 1.0

Iron binding site 10 out of 11 in the CHCODH2 A559W_V610W Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of CHCODH2 A559W_V610W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:34.3 occ:0.73 FE4 A:XCC703 0.0 34.3 0.7 SG A:CYS333 2.3 32.8 1.0 S2 A:XCC703 2.3 31.1 0.7 S3 A:XCC703 2.3 34.3 0.7 S1 A:XCC703 2.3 33.8 0.7 FE3 A:XCC703 2.4 27.7 0.7 FE1 A:XCC703 2.6 33.1 0.7 FE2 A:XCC703 3.2 40.6 0.7 CB A:CYS333 3.2 26.8 1.0 FE A:FE704 3.3 33.7 0.4 S4 A:XCC703 3.5 32.4 0.7 NI A:XCC703 3.5 35.3 0.7 NE2 A:HIS261 3.7 34.3 1.0 CE1 A:HIS261 3.8 29.5 1.0 NZ A:LYS563 3.9 29.0 1.0 SG A:CYS294 4.0 30.2 0.4 O A:HOH802 4.3 38.0 0.8 SG A:CYS446 4.4 22.6 1.0 CA A:CYS333 4.6 22.5 1.0 O A:HOH882 4.7 28.2 1.0 CB A:HIS561 4.7 15.3 1.0 CB A:CYS446 4.7 23.0 1.0 CE A:MET560 4.8 22.8 1.0 CE A:LYS563 4.8 23.5 1.0 SG A:CYS476 4.9 31.8 1.0 CD2 A:HIS561 5.0 20.4 1.0 CG A:HIS561 5.0 20.6 1.0 CD2 A:HIS261 5.0 24.9 1.0 SG A:CYS526 5.0 28.8 0.6

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.