Iron in PDB 5nqd: Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A

All present enzymatic activity of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A:
1.20.98.1;

The structure of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A, PDB code: 5nqd was solved by T.Santos-Silva, M.Romao, M.Vieira, A.T.Marques, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.55 / 2.20
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	141.408, 148.665, 232.009, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.7

The structure of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A also contains other interesting chemical elements:

Molybdenum

(Mo)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Iron atom in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A (pdb code 5nqd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A, PDB code: 5nqd:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2005 b:19.6 occ:1.00 FE1 A:F3S2005 0.0 19.6 1.0 S3 A:F3S2005 2.2 22.1 1.0 S1 A:F3S2005 2.2 22.6 1.0 S2 A:F3S2005 2.2 20.1 1.0 SG A:CYS24 2.3 17.9 1.0 FE3 A:F3S2005 2.7 20.6 1.0 FE4 A:F3S2005 2.8 24.4 1.0 CB A:CYS24 3.3 20.2 1.0 CA A:GLY105 3.8 18.7 1.0 OG A:SER102 3.8 19.4 1.0 N A:GLY105 3.8 17.4 1.0 S4 A:F3S2005 3.9 22.8 1.0 N A:CYS27 4.4 18.1 1.0 CB A:PHE26 4.5 17.5 1.0 CA A:CYS24 4.7 19.8 1.0 CB A:CYS31 4.7 18.6 1.0 SG A:CYS31 4.7 23.0 1.0 CB A:SER102 4.8 20.7 1.0 OH A:TYR33 4.8 19.5 1.0 SG A:CYS27 4.8 22.0 1.0 N A:PHE26 4.9 16.8 1.0 CD2 A:PHE26 4.9 17.1 1.0 NH1 A:ARG104 5.0 29.9 1.0 CE1 A:TYR33 5.0 20.3 1.0

Iron binding site 2 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2005 b:20.6 occ:1.00 FE3 A:F3S2005 0.0 20.6 1.0 S3 A:F3S2005 2.2 22.1 1.0 S4 A:F3S2005 2.2 22.8 1.0 S1 A:F3S2005 2.2 22.6 1.0 SG A:CYS31 2.3 23.0 1.0 FE1 A:F3S2005 2.7 19.6 1.0 FE4 A:F3S2005 2.8 24.4 1.0 CB A:CYS31 3.2 18.6 1.0 ND2 A:ASN245 3.5 19.1 1.0 S2 A:F3S2005 3.9 20.1 1.0 N A:CYS31 4.0 17.4 1.0 CB A:ASN245 4.2 17.8 1.0 CG A:ASN245 4.2 17.8 1.0 CA A:CYS31 4.2 18.3 1.0 CB A:VAL29 4.3 21.8 1.0 OG A:SER102 4.3 19.4 1.0 CG1 A:VAL29 4.4 22.4 1.0 CB A:SER102 4.5 20.7 1.0 SG A:CYS24 4.6 17.9 1.0 CB A:CYS24 4.7 20.2 1.0 SG A:CYS27 4.7 22.0 1.0 N A:SER102 4.7 23.9 1.0

Iron binding site 3 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2005 b:24.4 occ:1.00 FE4 A:F3S2005 0.0 24.4 1.0 SG A:CYS27 2.2 22.0 1.0 S3 A:F3S2005 2.2 22.1 1.0 S4 A:F3S2005 2.2 22.8 1.0 S2 A:F3S2005 2.2 20.1 1.0 FE3 A:F3S2005 2.8 20.6 1.0 FE1 A:F3S2005 2.8 19.6 1.0 CB A:CYS27 3.2 20.6 1.0 NH1 A:ARG104 3.6 29.9 1.0 N A:CYS27 3.8 18.1 1.0 CA A:CYS27 3.9 21.3 1.0 S1 A:F3S2005 4.1 22.6 1.0 CB A:VAL29 4.1 21.8 1.0 C A:CYS27 4.2 20.7 1.0 O A:CYS27 4.4 19.3 1.0 OG A:SER102 4.4 19.4 1.0 CG2 A:VAL29 4.4 22.1 1.0 N A:VAL29 4.6 21.1 1.0 SG A:CYS24 4.8 17.9 1.0 SG A:CYS31 4.8 23.0 1.0 CZ A:ARG104 4.9 26.2 1.0 CA A:VAL29 4.9 19.5 1.0 CB A:SER102 5.0 20.7 1.0

Iron binding site 4 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:25.8 occ:1.00 FE1 B:FES201 0.0 25.8 1.0 ND1 B:HIS105 2.2 24.2 1.0 S1 B:FES201 2.3 23.0 1.0 S2 B:FES201 2.3 24.1 1.0 ND1 B:HIS124 2.3 27.7 1.0 FE2 B:FES201 2.8 27.0 1.0 CE1 B:HIS105 3.1 23.4 1.0 CG B:HIS105 3.2 23.9 1.0 CG B:HIS124 3.2 26.7 1.0 CE1 B:HIS124 3.3 25.7 1.0 CB B:HIS124 3.4 25.4 1.0 CB B:HIS105 3.5 24.2 1.0 N B:HIS124 3.6 25.4 1.0 CA B:HIS124 4.1 25.4 1.0 N B:LYS106 4.1 22.8 1.0 NE2 B:HIS105 4.2 25.3 1.0 CD2 B:HIS105 4.3 24.8 1.0 C B:GLY123 4.3 26.2 1.0 CB B:LYS106 4.4 27.1 1.0 CD2 B:HIS124 4.4 24.2 1.0 NE2 B:HIS124 4.4 25.6 1.0 SG B:CYS121 4.4 25.9 1.0 SG B:CYS103 4.5 26.0 1.0 CA B:GLY123 4.6 27.2 1.0 CG B:LYS106 4.6 28.0 1.0 CB B:GLN140 4.6 23.2 1.0 CA B:HIS105 4.7 23.3 1.0 C B:HIS105 4.8 23.0 1.0 CA B:LYS106 4.9 26.7 1.0 C B:HIS124 4.9 23.9 1.0

Iron binding site 5 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:27.0 occ:1.00 FE2 B:FES201 0.0 27.0 1.0 SG B:CYS121 2.2 25.9 1.0 S1 B:FES201 2.2 23.0 1.0 S2 B:FES201 2.2 24.1 1.0 SG B:CYS103 2.3 26.0 1.0 FE1 B:FES201 2.8 25.8 1.0 CB B:CYS103 3.0 26.2 1.0 CB B:CYS121 3.2 26.0 1.0 CB B:HIS105 4.1 24.2 1.0 N B:HIS124 4.4 25.4 1.0 ND1 B:HIS105 4.4 24.2 1.0 OG B:SER126 4.5 24.8 1.0 CA B:CYS103 4.5 26.3 1.0 CB B:SER126 4.6 24.3 1.0 CA B:CYS121 4.6 25.8 1.0 N B:LYS106 4.6 22.8 1.0 CA B:GLY123 4.7 27.2 1.0 CB B:ALA108 4.8 27.1 1.0 CG B:HIS105 4.8 23.9 1.0 ND1 B:HIS124 4.8 27.7 1.0 N B:GLY123 4.8 26.6 1.0 N B:HIS105 4.9 21.0 1.0 N B:ALA108 5.0 29.8 1.0 CA B:HIS105 5.0 23.3 1.0

Iron binding site 6 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2005 b:21.3 occ:1.00 FE1 C:F3S2005 0.0 21.3 1.0 S2 C:F3S2005 2.2 22.2 1.0 S3 C:F3S2005 2.2 23.3 1.0 S1 C:F3S2005 2.2 22.1 1.0 SG C:CYS24 2.3 19.7 1.0 FE3 C:F3S2005 2.7 22.5 1.0 FE4 C:F3S2005 2.8 24.6 1.0 CB C:CYS24 3.3 20.1 1.0 OG C:SER102 3.6 28.3 1.0 S4 C:F3S2005 3.9 24.9 1.0 N C:GLY105 4.0 22.3 1.0 CA C:GLY105 4.0 22.8 1.0 N C:CYS27 4.3 20.6 1.0 CB C:PHE26 4.5 21.5 1.0 OH C:TYR33 4.6 14.7 1.0 CA C:CYS24 4.7 19.6 1.0 SG C:CYS31 4.7 21.0 1.0 CB C:SER102 4.7 24.1 1.0 CD2 C:PHE26 4.8 21.1 1.0 CB C:CYS31 4.8 18.7 1.0 NH1 C:ARG104 4.8 36.4 1.0 SG C:CYS27 4.9 24.0 1.0 CE1 C:TYR33 5.0 16.5 1.0 N C:PHE26 5.0 19.4 1.0 CB C:ARG104 5.0 23.4 1.0

Iron binding site 7 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2005 b:22.5 occ:1.00 FE3 C:F3S2005 0.0 22.5 1.0 S3 C:F3S2005 2.2 23.3 1.0 S4 C:F3S2005 2.2 24.9 1.0 S1 C:F3S2005 2.3 22.1 1.0 SG C:CYS31 2.3 21.0 1.0 FE4 C:F3S2005 2.7 24.6 1.0 FE1 C:F3S2005 2.7 21.3 1.0 CB C:CYS31 3.3 18.7 1.0 ND2 C:ASN245 3.5 20.3 1.0 S2 C:F3S2005 3.8 22.2 1.0 N C:CYS31 4.1 16.9 1.0 OG C:SER102 4.1 28.3 1.0 CG C:ASN245 4.2 21.5 1.0 CB C:ASN245 4.2 21.9 1.0 CB C:VAL29 4.3 21.8 1.0 CA C:CYS31 4.4 19.1 1.0 CG1 C:VAL29 4.5 21.9 1.0 CB C:SER102 4.5 24.1 1.0 SG C:CYS24 4.6 19.7 1.0 SG C:CYS27 4.7 24.0 1.0 CB C:CYS24 4.7 20.1 1.0 N C:SER102 4.8 22.3 1.0 N C:GLY30 4.8 19.9 1.0 N C:ASN245 5.0 22.1 1.0

Iron binding site 8 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2005 b:24.6 occ:1.00 FE4 C:F3S2005 0.0 24.6 1.0 S3 C:F3S2005 2.2 23.3 1.0 SG C:CYS27 2.2 24.0 1.0 S2 C:F3S2005 2.2 22.2 1.0 S4 C:F3S2005 2.2 24.9 1.0 FE3 C:F3S2005 2.7 22.5 1.0 FE1 C:F3S2005 2.8 21.3 1.0 CB C:CYS27 3.3 22.1 1.0 NH1 C:ARG104 3.8 36.4 1.0 N C:CYS27 3.8 20.6 1.0 CA C:CYS27 3.9 21.4 1.0 S1 C:F3S2005 4.1 22.1 1.0 CB C:VAL29 4.1 21.8 1.0 C C:CYS27 4.2 19.9 1.0 O C:CYS27 4.2 17.7 1.0 OG C:SER102 4.3 28.3 1.0 CG2 C:VAL29 4.5 21.5 1.0 N C:VAL29 4.6 20.5 1.0 SG C:CYS24 4.8 19.7 1.0 SG C:CYS31 4.8 21.0 1.0 N C:GLY30 4.9 19.9 1.0 CA C:VAL29 4.9 21.4 1.0

Iron binding site 9 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:29.4 occ:1.00 FE1 D:FES201 0.0 29.4 1.0 ND1 D:HIS124 2.2 27.0 1.0 S2 D:FES201 2.3 31.1 1.0 S1 D:FES201 2.3 28.9 1.0 ND1 D:HIS105 2.4 34.1 1.0 FE2 D:FES201 2.8 27.5 1.0 CG D:HIS124 3.2 29.8 1.0 CE1 D:HIS124 3.2 26.3 1.0 CG D:HIS105 3.3 32.2 1.0 CE1 D:HIS105 3.4 32.6 1.0 CB D:HIS124 3.4 29.5 1.0 CB D:HIS105 3.5 29.1 1.0 N D:HIS124 3.6 31.5 1.0 CA D:HIS124 4.1 29.8 1.0 N D:LYS106 4.2 25.7 1.0 C D:GLY123 4.2 31.1 1.0 NE2 D:HIS124 4.3 29.3 1.0 CD2 D:HIS124 4.3 28.6 1.0 CB D:LYS106 4.4 27.4 1.0 CA D:GLY123 4.4 28.8 1.0 NE2 D:HIS105 4.5 34.1 1.0 CD2 D:HIS105 4.5 34.9 1.0 SG D:CYS103 4.5 24.7 1.0 SG D:CYS121 4.5 28.4 1.0 CG D:LYS106 4.7 30.7 1.0 CA D:HIS105 4.8 27.0 1.0 CB D:GLN140 4.8 27.0 1.0 C D:HIS124 4.8 27.3 1.0 C D:HIS105 4.8 25.5 1.0 CA D:LYS106 4.9 26.4 1.0

Iron binding site 10 out of 20 in the Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:27.5 occ:1.00 FE2 D:FES201 0.0 27.5 1.0 S1 D:FES201 2.2 28.9 1.0 S2 D:FES201 2.2 31.1 1.0 SG D:CYS121 2.2 28.4 1.0 SG D:CYS103 2.3 24.7 1.0 FE1 D:FES201 2.8 29.4 1.0 CB D:CYS103 3.1 26.4 1.0 CB D:CYS121 3.3 32.0 1.0 CB D:HIS105 4.2 29.1 1.0 N D:HIS124 4.4 31.5 1.0 OG D:SER126 4.4 21.5 1.0 CA D:CYS103 4.6 25.6 1.0 CB D:ALA108 4.6 26.6 1.0 ND1 D:HIS105 4.6 34.1 1.0 CA D:CYS121 4.7 31.8 1.0 CA D:GLY123 4.7 28.8 1.0 N D:LYS106 4.7 25.7 1.0 CB D:SER126 4.7 21.4 1.0 ND1 D:HIS124 4.7 27.0 1.0 N D:GLY123 4.7 28.4 1.0 CG D:HIS105 4.9 32.2 1.0 N D:ALA108 4.9 27.5 1.0 N D:HIS105 5.0 26.1 1.0

T.Santos-Silva, M.Romao, M.Vieira, A.T.Marques. Arsenite Oxidase Aioab From Rhizobium Sp. Str. Nt-26 Mutant AIOBF108A To Be Published.