Iron in PDB 8ccq: Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide

The structure of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide, PDB code: 8ccq was solved by F.Engrola, T.Santos-Silva, M.J.Romao, M.A.S.Correia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	141.53 / 1.89
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	141.533, 148.395, 232.68, 90, 90, 90
R / Rfree (%)	15.5 / 20

The structure of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide also contains other interesting chemical elements:

Antimony	(Sb)	4 atoms
Molybdenum	(Mo)	4 atoms

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

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide (pdb code 8ccq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide, PDB code: 8ccq:
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 Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2006 b:22.7 occ:1.00 FE1 A:F3S2006 0.0 22.7 1.0 SG A:CYS24 2.2 21.9 1.0 S1 A:F3S2006 2.3 24.1 1.0 S3 A:F3S2006 2.3 23.2 1.0 S2 A:F3S2006 2.3 22.2 1.0 FE3 A:F3S2006 2.7 21.8 1.0 FE4 A:F3S2006 2.8 23.7 1.0 CB A:CYS24 3.2 21.9 1.0 OG A:SER102 3.8 18.6 1.0 S4 A:F3S2006 3.9 22.1 1.0 CA A:GLY105 3.9 19.0 1.0 N A:GLY105 3.9 20.5 1.0 N A:CYS27 4.3 19.1 1.0 CB A:PHE26 4.5 21.1 1.0 CA A:CYS24 4.7 21.3 1.0 SG A:CYS31 4.7 23.6 1.0 CB A:CYS31 4.7 21.0 1.0 SG A:CYS27 4.8 22.5 1.0 CB A:SER102 4.8 20.0 1.0 OH A:TYR33 4.8 19.2 1.0 N A:PHE26 4.9 18.6 1.0 CD2 A:PHE26 4.9 20.1 1.0 CA A:PHE26 5.0 20.1 1.0

Iron binding site 2 out of 20 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2006 b:21.8 occ:1.00 FE3 A:F3S2006 0.0 21.8 1.0 S4 A:F3S2006 2.2 22.1 1.0 S3 A:F3S2006 2.2 23.2 1.0 S1 A:F3S2006 2.3 24.1 1.0 SG A:CYS31 2.3 23.6 1.0 FE1 A:F3S2006 2.7 22.7 1.0 FE4 A:F3S2006 2.7 23.7 1.0 CB A:CYS31 3.2 21.0 1.0 ND2 A:ASN245 3.6 20.3 1.0 S2 A:F3S2006 3.9 22.2 1.0 N A:CYS31 4.1 19.3 1.0 CB A:ASN245 4.2 17.4 1.0 CG A:ASN245 4.3 19.4 1.0 OG A:SER102 4.3 18.6 1.0 CA A:CYS31 4.3 20.6 1.0 CB A:VAL29 4.3 22.2 1.0 CG1 A:VAL29 4.5 21.8 1.0 CB A:SER102 4.5 20.0 1.0 SG A:CYS24 4.6 21.9 1.0 SG A:CYS27 4.7 22.5 1.0 CB A:CYS24 4.7 21.9 1.0 N A:SER102 4.7 22.8 1.0

Iron binding site 3 out of 20 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2006 b:23.7 occ:1.00 FE4 A:F3S2006 0.0 23.7 1.0 SG A:CYS27 2.2 22.5 1.0 S3 A:F3S2006 2.2 23.2 1.0 S4 A:F3S2006 2.2 22.1 1.0 S2 A:F3S2006 2.2 22.2 1.0 FE3 A:F3S2006 2.7 21.8 1.0 FE1 A:F3S2006 2.8 22.7 1.0 CB A:CYS27 3.3 21.4 1.0 O A:HOH2122 3.7 37.4 1.0 N A:CYS27 3.8 19.1 1.0 NH1 A:ARG104 3.9 33.7 1.0 CA A:CYS27 3.9 20.1 1.0 S1 A:F3S2006 4.0 24.1 1.0 CB A:VAL29 4.1 22.2 1.0 C A:CYS27 4.2 20.8 1.0 O A:CYS27 4.3 18.9 1.0 OG A:SER102 4.3 18.6 1.0 CG2 A:VAL29 4.4 22.1 1.0 N A:VAL29 4.7 19.7 1.0 SG A:CYS24 4.7 21.9 1.0 SG A:CYS31 4.8 23.6 1.0 CB A:SER102 4.9 20.0 1.0 CA A:VAL29 4.9 20.4 1.0 N A:GLY30 5.0 19.8 1.0

Iron binding site 4 out of 20 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:24.8 occ:1.00 FE1 B:FES201 0.0 24.8 1.0 ND1 B:HIS105 2.1 22.8 1.0 ND1 B:HIS124 2.2 27.5 1.0 S1 B:FES201 2.3 23.5 1.0 S2 B:FES201 2.3 25.2 1.0 FE2 B:FES201 2.7 25.9 1.0 CE1 B:HIS105 3.0 23.3 1.0 CE1 B:HIS124 3.1 26.9 1.0 CG B:HIS105 3.1 23.1 1.0 CG B:HIS124 3.2 25.5 1.0 CB B:HIS105 3.5 24.0 1.0 CB B:HIS124 3.5 24.4 1.0 N B:HIS124 3.7 25.6 1.0 CA B:HIS124 4.1 24.0 1.0 N B:LYS106 4.1 27.3 1.0 NE2 B:HIS105 4.2 23.7 1.0 NE2 B:HIS124 4.2 26.9 1.0 CD2 B:HIS105 4.2 22.3 1.0 CD2 B:HIS124 4.3 25.6 1.0 CB B:LYS106 4.3 29.1 1.0 C B:GLY123 4.3 26.9 1.0 SG B:CYS121 4.4 26.8 1.0 SG B:CYS103 4.4 26.3 1.0 CA B:GLY123 4.5 25.6 1.0 CG B:LYS106 4.5 29.3 1.0 CA B:HIS105 4.7 24.5 1.0 C B:HIS105 4.8 25.7 1.0 CB B:GLN140 4.8 23.3 1.0 CA B:LYS106 4.8 28.7 1.0 C B:HIS124 4.8 22.6 1.0

Iron binding site 5 out of 20 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:25.9 occ:1.00 FE2 B:FES201 0.0 25.9 1.0 SG B:CYS121 2.2 26.8 1.0 S1 B:FES201 2.2 23.5 1.0 S2 B:FES201 2.2 25.2 1.0 SG B:CYS103 2.3 26.3 1.0 FE1 B:FES201 2.7 24.8 1.0 CB B:CYS103 3.1 25.7 1.0 CB B:CYS121 3.2 25.7 1.0 CB B:HIS105 4.1 24.0 1.0 N B:HIS124 4.3 25.6 1.0 ND1 B:HIS105 4.3 22.8 1.0 OG B:SER126 4.5 24.3 1.0 CA B:CYS103 4.5 28.1 1.0 CA B:CYS121 4.5 27.6 1.0 CB B:SER126 4.5 23.2 1.0 ND1 B:HIS124 4.6 27.5 1.0 CA B:GLY123 4.7 25.6 1.0 N B:LYS106 4.7 27.3 1.0 CG B:HIS105 4.7 23.1 1.0 CB B:PHE108 4.7 31.0 1.0 N B:GLY123 4.8 24.6 1.0 N B:HIS105 4.9 24.4 1.0 N B:PHE108 5.0 28.9 1.0 C B:CYS121 5.0 28.4 1.0 CD2 B:LEU110 5.0 25.5 1.0 C B:GLY123 5.0 26.9 1.0

Iron binding site 6 out of 20 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2006 b:23.1 occ:1.00 FE1 C:F3S2006 0.0 23.1 1.0 S3 C:F3S2006 2.2 25.1 1.0 S2 C:F3S2006 2.2 25.5 1.0 S1 C:F3S2006 2.3 26.2 1.0 SG C:CYS24 2.3 22.5 1.0 FE3 C:F3S2006 2.7 25.4 1.0 FE4 C:F3S2006 2.8 25.9 1.0 CB C:CYS24 3.2 25.0 1.0 OG C:SER102 3.9 26.1 1.0 S4 C:F3S2006 3.9 26.9 1.0 CA C:GLY105 3.9 23.4 1.0 N C:GLY105 4.0 22.6 1.0 N C:CYS27 4.3 22.7 1.0 CB C:PHE26 4.5 23.6 1.0 CA C:CYS24 4.6 22.5 1.0 OH C:TYR33 4.7 21.2 1.0 SG C:CYS31 4.7 24.9 1.0 SG C:CYS27 4.8 27.2 1.0 CB C:SER102 4.8 24.9 1.0 CD2 C:PHE26 4.9 26.3 1.0 CB C:CYS31 4.9 22.4 1.0 N C:PHE26 4.9 22.9 1.0 CA C:PHE26 5.0 23.3 1.0

Iron binding site 7 out of 20 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2006 b:25.4 occ:1.00 FE3 C:F3S2006 0.0 25.4 1.0 S4 C:F3S2006 2.2 26.9 1.0 S3 C:F3S2006 2.2 25.1 1.0 S1 C:F3S2006 2.3 26.2 1.0 SG C:CYS31 2.4 24.9 1.0 FE1 C:F3S2006 2.7 23.1 1.0 FE4 C:F3S2006 2.7 25.9 1.0 CB C:CYS31 3.4 22.4 1.0 ND2 C:ASN245 3.5 22.6 1.0 S2 C:F3S2006 3.8 25.5 1.0 N C:CYS31 4.1 20.8 1.0 CG C:ASN245 4.2 22.8 1.0 CB C:ASN245 4.2 24.0 1.0 OG C:SER102 4.3 26.1 1.0 CA C:CYS31 4.3 22.4 1.0 CB C:VAL29 4.4 22.9 1.0 CB C:SER102 4.5 24.9 1.0 CG1 C:VAL29 4.6 23.5 1.0 SG C:CYS24 4.6 22.5 1.0 SG C:CYS27 4.7 27.2 1.0 N C:SER102 4.7 23.6 1.0 CB C:CYS24 4.7 25.0 1.0 N C:GLY30 5.0 22.2 1.0

Iron binding site 8 out of 20 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2006 b:25.9 occ:1.00 FE4 C:F3S2006 0.0 25.9 1.0 S3 C:F3S2006 2.2 25.1 1.0 S2 C:F3S2006 2.2 25.5 1.0 SG C:CYS27 2.2 27.2 1.0 S4 C:F3S2006 2.2 26.9 1.0 FE3 C:F3S2006 2.7 25.4 1.0 FE1 C:F3S2006 2.8 23.1 1.0 CB C:CYS27 3.3 26.2 1.0 N C:CYS27 3.8 22.7 1.0 NH1 C:ARG104 3.8 40.2 1.0 CA C:CYS27 3.9 24.3 1.0 S1 C:F3S2006 4.0 26.2 1.0 CB C:VAL29 4.1 22.9 1.0 C C:CYS27 4.2 21.1 1.0 O C:CYS27 4.3 21.1 1.0 CG2 C:VAL29 4.4 22.5 1.0 OG C:SER102 4.5 26.1 1.0 N C:VAL29 4.7 22.5 1.0 SG C:CYS24 4.7 22.5 1.0 SG C:CYS31 4.8 24.9 1.0 N C:GLY30 4.9 22.2 1.0 CA C:VAL29 4.9 23.1 1.0 CB C:SER102 5.0 24.9 1.0 C C:PHE26 5.0 24.0 1.0

Iron binding site 9 out of 20 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:29.6 occ:1.00 FE1 D:FES201 0.0 29.6 1.0 ND1 D:HIS124 2.1 26.3 1.0 S1 D:FES201 2.2 27.2 1.0 S2 D:FES201 2.3 30.5 1.0 ND1 D:HIS105 2.4 29.6 1.0 FE2 D:FES201 2.7 29.6 1.0 CE1 D:HIS124 3.0 23.3 1.0 CG D:HIS124 3.1 27.1 1.0 CG D:HIS105 3.3 27.7 1.0 CE1 D:HIS105 3.4 27.0 1.0 CB D:HIS105 3.4 26.0 1.0 CB D:HIS124 3.5 27.1 1.0 N D:HIS124 3.6 32.2 1.0 N D:LYS106 4.1 26.9 1.0 CA D:HIS124 4.1 29.9 1.0 NE2 D:HIS124 4.1 26.8 1.0 CD2 D:HIS124 4.2 25.4 1.0 C D:GLY123 4.3 33.8 1.0 CB D:LYS106 4.3 28.8 1.0 SG D:CYS103 4.4 27.2 1.0 CD2 D:HIS105 4.4 30.0 1.0 NE2 D:HIS105 4.5 29.3 1.0 SG D:CYS121 4.5 31.1 1.0 CA D:GLY123 4.5 30.6 1.0 CG D:LYS106 4.5 30.0 1.0 CA D:HIS105 4.6 26.2 1.0 C D:HIS105 4.7 27.0 1.0 CB D:GLN140 4.8 28.9 1.0 C D:HIS124 4.8 29.9 1.0 CA D:LYS106 4.8 27.8 1.0 OG D:SER126 4.9 24.0 1.0

Iron binding site 10 out of 20 in the Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Arsenite Oxidase From Pseudorhizobium Banfieldiae Str. Nt-26 (Nt-26 Aio) Bound to Antimony Trioxide within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:29.6 occ:1.00 FE2 D:FES201 0.0 29.6 1.0 S2 D:FES201 2.2 30.5 1.0 S1 D:FES201 2.2 27.2 1.0 SG D:CYS103 2.3 27.2 1.0 SG D:CYS121 2.3 31.1 1.0 FE1 D:FES201 2.7 29.6 1.0 CB D:CYS103 3.1 30.7 1.0 CB D:CYS121 3.2 29.9 1.0 CB D:HIS105 4.1 26.0 1.0 N D:HIS124 4.3 32.2 1.0 OG D:SER126 4.4 24.0 1.0 ND1 D:HIS124 4.5 26.3 1.0 CA D:CYS103 4.5 30.3 1.0 ND1 D:HIS105 4.6 29.6 1.0 N D:LYS106 4.6 26.9 1.0 CB D:PHE108 4.6 32.8 1.0 CB D:SER126 4.6 24.5 1.0 CA D:CYS121 4.6 28.9 1.0 CA D:GLY123 4.7 30.6 1.0 N D:GLY123 4.7 29.1 1.0 CG D:HIS105 4.8 27.7 1.0 N D:HIS105 4.9 25.9 1.0 C D:CYS121 5.0 33.5 1.0 CA D:HIS105 5.0 26.2 1.0

F.Engrola, T.Santos-Silva, M.J.Romao, M.A.S.Correia. Arsenite Oxidase in Complex with Antimonite and Arsenite Oxyanions - Insights Into the Catalytic Mechanism To Be Published.