Iron in PDB 9iyn: CHCODH2 A559H_V610H Mutant

All present enzymatic activity of CHCODH2 A559H_V610H Mutant:
1.2.7.4;

The structure of CHCODH2 A559H_V610H Mutant, PDB code: 9iyn 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)	35.22 / 1.83
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.867, 75.311, 70.948, 90, 111.22, 90
R / Rfree (%)	16.8 / 22

The structure of CHCODH2 A559H_V610H 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 A559H_V610H Mutant (pdb code 9iyn). 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 A559H_V610H Mutant, PDB code: 9iyn:
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 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:14.1 occ:1.00 FE1 A:SF4701 0.0 14.1 1.0 S4 A:SF4701 2.3 14.4 1.0 S3 A:SF4701 2.3 14.4 1.0 S2 A:SF4701 2.3 12.8 1.0 SG A:CYS70 2.5 17.6 1.0 FE2 A:SF4701 2.7 13.6 1.0 FE4 A:SF4701 2.7 12.8 1.0 FE3 A:SF4701 2.7 13.2 1.0 CB A:CYS70 3.4 13.1 1.0 N A:CYS70 3.8 13.2 1.0 S1 A:SF4701 3.9 14.4 1.0 O A:HOH1005 4.0 13.5 1.0 NH2 A:ARG80 4.1 12.1 1.0 CA A:CYS70 4.3 11.3 1.0 CB A:ALA72 4.4 13.8 1.0 CG A:MET199 4.6 14.9 1.0 N A:ILE69 4.6 11.5 1.0 SG A:CYS51 4.7 14.7 1.0 SG A:CYS48 4.8 13.1 1.0 SG A:CYS56 4.9 13.2 1.0 C A:ILE69 5.0 14.2 1.0

Iron binding site 2 out of 11 in the CHCODH2 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:13.6 occ:1.00 FE2 A:SF4701 0.0 13.6 1.0 S1 A:SF4701 2.3 14.4 1.0 S3 A:SF4701 2.3 14.4 1.0 S4 A:SF4701 2.3 14.4 1.0 SG A:CYS48 2.3 13.1 1.0 FE3 A:SF4701 2.7 13.2 1.0 FE1 A:SF4701 2.7 14.1 1.0 FE4 A:SF4701 2.7 12.8 1.0 CB A:CYS48 3.3 13.6 1.0 NH2 A:ARG80 3.6 12.1 1.0 S2 A:SF4701 3.9 12.8 1.0 N A:HIS50 4.0 16.2 1.0 C A:CYS48 4.2 13.0 1.0 O A:CYS48 4.2 11.3 1.0 CA A:CYS48 4.3 12.5 1.0 CB A:HIS50 4.5 13.8 1.0 N A:CYS51 4.5 11.8 1.0 CA A:HIS50 4.6 15.5 1.0 N A:ARG49 4.6 13.4 1.0 CB A:CYS56 4.7 15.6 1.0 SG A:CYS56 4.8 13.2 1.0 CZ A:ARG80 4.8 14.0 1.0 C A:HIS50 4.8 13.7 1.0 C A:ARG49 5.0 15.8 1.0 SG A:CYS51 5.0 14.7 1.0

Iron binding site 3 out of 11 in the CHCODH2 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:13.2 occ:1.00 FE3 A:SF4701 0.0 13.2 1.0 S2 A:SF4701 2.3 12.8 1.0 S1 A:SF4701 2.3 14.4 1.0 S4 A:SF4701 2.3 14.4 1.0 SG A:CYS56 2.4 13.2 1.0 FE2 A:SF4701 2.7 13.6 1.0 FE4 A:SF4701 2.7 12.8 1.0 FE1 A:SF4701 2.7 14.1 1.0 CB A:CYS56 3.2 15.6 1.0 S3 A:SF4701 3.9 14.4 1.0 N A:ILE69 4.0 11.5 1.0 CA A:CYS56 4.4 14.2 1.0 CB A:ILE69 4.4 10.0 1.0 CA A:GLY54 4.4 15.1 1.0 N A:CYS56 4.4 13.8 1.0 N A:GLY54 4.5 15.0 1.0 O A:CYS48 4.6 11.3 1.0 SG A:CYS51 4.7 14.7 1.0 SG A:CYS48 4.7 13.1 1.0 N A:CYS70 4.7 13.2 1.0 CA A:ILE69 4.8 13.2 1.0 CA A:GLY68 4.8 14.1 1.0 CB A:CYS48 4.8 13.6 1.0 C A:GLY68 4.8 14.6 1.0 CG1 A:ILE69 4.9 11.2 1.0 SG A:CYS70 4.9 17.6 1.0

Iron binding site 4 out of 11 in the CHCODH2 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:12.8 occ:1.00 FE4 A:SF4701 0.0 12.8 1.0 S1 A:SF4701 2.3 14.4 1.0 S3 A:SF4701 2.3 14.4 1.0 S2 A:SF4701 2.3 12.8 1.0 SG A:CYS51 2.3 14.7 1.0 FE3 A:SF4701 2.7 13.2 1.0 FE2 A:SF4701 2.7 13.6 1.0 FE1 A:SF4701 2.7 14.1 1.0 CB A:CYS51 3.2 11.3 1.0 N A:CYS51 3.5 11.8 1.0 CA A:CYS51 3.8 16.9 1.0 S4 A:SF4701 3.9 14.4 1.0 O A:CYS51 4.2 13.3 1.0 C A:CYS51 4.2 15.6 1.0 C A:HIS50 4.4 13.7 1.0 N A:GLY54 4.4 15.0 1.0 CG A:MET199 4.5 14.9 1.0 CB A:GLN53 4.7 15.6 1.0 N A:HIS50 4.8 16.2 1.0 SG A:CYS48 4.9 13.1 1.0 OE1 A:GLN53 4.9 17.4 1.0 N A:GLN53 4.9 13.1 1.0 SG A:CYS70 4.9 17.6 1.0 SG A:CYS56 4.9 13.2 1.0 CB A:MET199 5.0 14.9 1.0 CA A:GLY54 5.0 15.1 1.0

Iron binding site 5 out of 11 in the CHCODH2 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:15.1 occ:1.00 FE1 A:FES702 0.0 15.1 1.0 S2 A:FES702 2.2 13.9 1.0 S1 A:FES702 2.2 15.4 1.0 SG A:CYS47 2.3 15.4 1.0 FE2 A:FES702 2.7 13.9 1.0 CB A:CYS47 3.2 16.0 1.0 O A:HOH1071 3.7 13.7 1.0 CA A:CYS47 4.6 12.9 1.0 SG A:CYS39 4.8 15.3 1.0 CB A:PHE41 4.8 14.8 1.0 N A:GLY42 4.9 16.3 1.0 CD A:ARG49 5.0 17.5 1.0

Iron binding site 6 out of 11 in the CHCODH2 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:13.9 occ:1.00 FE2 A:FES702 0.0 13.9 1.0 S2 A:FES702 2.2 13.9 1.0 S1 A:FES702 2.2 15.4 1.0 SG A:CYS39 2.4 15.3 1.0 FE1 A:FES702 2.7 15.1 1.0 CB A:CYS39 3.2 10.7 1.0 N A:GLY42 4.0 16.3 1.0 CB A:PHE41 4.3 14.8 1.0 CA A:GLY42 4.6 15.0 1.0 CA A:CYS39 4.7 13.7 1.0 CD2 A:PHE41 4.8 14.5 1.0 SG A:CYS47 4.9 15.4 1.0 C A:PHE41 4.9 17.5 1.0

Iron binding site 7 out of 11 in the CHCODH2 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:35.1 occ:0.56 FE1 A:XCC703 0.0 35.1 0.6 FE A:FE704 1.7 28.1 0.4 S3 A:XCC703 2.3 33.4 0.6 S4 A:XCC703 2.3 27.9 0.6 S2 A:XCC703 2.3 30.1 0.6 SG A:CYS476 2.4 29.9 1.0 FE4 A:XCC703 2.6 39.0 0.6 FE3 A:XCC703 3.0 34.3 0.6 O A:HOH1068 3.4 29.8 1.0 FE2 A:XCC703 3.5 35.2 0.6 CB A:CYS476 3.5 21.3 1.0 SG A:CYS294 3.5 25.0 0.3 SG A:CYS294 3.9 29.7 0.7 N A:CYS476 4.1 16.7 1.0 S1 A:XCC703 4.2 37.2 0.6 NI A:XCC703 4.3 38.5 0.6 CA A:CYS446 4.4 22.6 1.0 CA A:CYS476 4.4 19.8 1.0 CB A:SER312 4.5 23.3 1.0 CB A:CYS446 4.5 18.4 1.0 SG A:CYS333 4.6 27.8 1.0 OG A:SER312 4.6 21.0 1.0 CB A:CYS294 4.7 23.4 0.7 SG A:CYS295 4.7 23.9 1.0 CB A:CYS333 4.7 20.5 1.0 O A:GLY445 4.8 16.2 1.0 CB A:CYS294 4.8 23.2 0.3 CA A:SER312 4.9 20.5 1.0 SG A:CYS526 4.9 26.4 0.5 NE2 A:HIS261 4.9 28.1 1.0 CA A:CYS294 5.0 21.0 0.7 CA A:CYS294 5.0 21.0 0.3

Iron binding site 8 out of 11 in the CHCODH2 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:35.2 occ:0.56 FE2 A:XCC703 0.0 35.2 0.6 O A:HOH802 2.1 31.2 0.8 S3 A:XCC703 2.2 33.4 0.6 NE2 A:HIS261 2.3 28.1 1.0 SG A:CYS295 2.6 23.9 1.0 NI A:XCC703 2.8 38.5 0.6 SG A:CYS526 2.9 26.4 0.5 CD2 A:HIS261 3.0 24.5 1.0 FE4 A:XCC703 3.1 39.0 0.6 S4 A:XCC703 3.2 27.9 0.6 CB A:CYS295 3.3 20.8 1.0 CE1 A:HIS261 3.4 25.4 1.0 FE1 A:XCC703 3.5 35.1 0.6 S1 A:XCC703 3.5 37.2 0.6 CB A:CYS526 3.5 21.5 0.5 CB A:CYS526 3.6 21.5 0.5 NZ A:LYS563 3.7 24.9 1.0 SG A:CYS526 3.9 30.5 0.5 SG A:CYS294 4.0 25.0 0.3 FE A:FE704 4.2 28.1 0.4 FE3 A:XCC703 4.2 34.3 0.6 CG A:HIS261 4.2 21.4 1.0 ND1 A:HIS261 4.4 24.1 1.0 O A:HOH1068 4.4 29.8 1.0 N A:CYS295 4.4 18.4 1.0 CA A:CYS295 4.4 19.7 1.0 SG A:CYS333 4.5 27.8 1.0 N A:CYS526 4.7 16.1 1.0 O A:HOH1014 4.7 16.4 1.0 CA A:CYS526 4.7 17.1 0.5 CA A:CYS526 4.8 17.1 0.5 S2 A:XCC703 4.9 30.1 0.6

Iron binding site 9 out of 11 in the CHCODH2 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:34.3 occ:0.56 FE3 A:XCC703 0.0 34.3 0.6 S1 A:XCC703 2.2 37.2 0.6 S4 A:XCC703 2.3 27.9 0.6 FE4 A:XCC703 2.4 39.0 0.6 SG A:CYS446 2.4 22.9 1.0 S2 A:XCC703 2.4 30.1 0.6 CB A:CYS446 2.9 18.4 1.0 FE1 A:XCC703 3.0 35.1 0.6 NI A:XCC703 3.1 38.5 0.6 CA A:CYS446 3.4 22.6 1.0 N A:CYS446 3.6 20.4 1.0 C A:GLY445 4.0 19.3 1.0 S3 A:XCC703 4.1 33.4 0.6 SG A:CYS333 4.2 27.8 1.0 FE2 A:XCC703 4.2 35.2 0.6 CB A:HIS561 4.3 15.5 1.0 FE A:FE704 4.4 28.1 0.4 O A:GLY445 4.5 16.2 1.0 CA A:GLY445 4.6 16.0 1.0 SG A:CYS526 4.7 26.4 0.5 O A:HOH802 4.7 31.2 0.8 C A:CYS446 4.8 17.8 1.0 SG A:CYS476 4.9 29.9 1.0

Iron binding site 10 out of 11 in the CHCODH2 A559H_V610H Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of CHCODH2 A559H_V610H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:39.0 occ:0.56 FE4 A:XCC703 0.0 39.0 0.6 SG A:CYS333 2.2 27.8 1.0 S3 A:XCC703 2.3 33.4 0.6 S2 A:XCC703 2.3 30.1 0.6 S1 A:XCC703 2.4 37.2 0.6 FE3 A:XCC703 2.4 34.3 0.6 FE1 A:XCC703 2.6 35.1 0.6 CB A:CYS333 3.1 20.5 1.0 FE2 A:XCC703 3.1 35.2 0.6 FE A:FE704 3.2 28.1 0.4 S4 A:XCC703 3.3 27.9 0.6 NI A:XCC703 3.6 38.5 0.6 NE2 A:HIS261 3.7 28.1 1.0 NZ A:LYS563 3.8 24.9 1.0 O A:HOH802 3.8 31.2 0.8 CE1 A:HIS261 3.8 25.4 1.0 SG A:CYS294 3.9 25.0 0.3 SG A:CYS446 4.5 22.9 1.0 CA A:CYS333 4.5 16.4 1.0 O A:HOH878 4.7 25.6 1.0 CE A:LYS563 4.7 23.8 1.0 CB A:CYS446 4.8 18.4 1.0 CB A:HIS561 4.8 15.5 1.0 SG A:CYS294 4.9 29.7 0.7 SG A:CYS476 5.0 29.9 1.0

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.