Iron in PDB 4aay: Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26

The structure of Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26, PDB code: 4aay was solved by M.Oke, J.M.Santini, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	141.87 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	149.130, 232.960, 141.870, 90.00, 90.00, 90.00
R / Rfree (%)	19.343 / 21.128

The structure of Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 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 Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 (pdb code 4aay). 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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26, PDB code: 4aay:
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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2005 b:55.1 occ:1.00 FE1 A:F3S2005 0.0 55.1 1.0 S2 A:F3S2005 2.2 53.7 1.0 S3 A:F3S2005 2.2 53.4 1.0 S1 A:F3S2005 2.2 55.1 1.0 SG A:CYS24 2.3 46.1 1.0 FE3 A:F3S2005 2.6 54.1 1.0 FE4 A:F3S2005 2.8 55.1 1.0 CB A:CYS24 3.2 46.3 1.0 OG A:SER102 3.8 47.9 1.0 CA A:GLY105 3.9 46.5 1.0 S4 A:F3S2005 3.9 54.6 1.0 N A:GLY105 4.0 46.7 1.0 N A:CYS27 4.5 46.4 1.0 SG A:CYS31 4.5 50.3 1.0 CA A:CYS24 4.6 46.1 1.0 CB A:PHE26 4.7 45.9 1.0 OH A:TYR33 4.7 47.3 1.0 CB A:CYS31 4.8 48.2 1.0 CD2 A:PHE26 4.8 45.7 1.0 CB A:SER102 4.9 48.6 1.0 SG A:CYS27 4.9 48.1 1.0 NH1 A:ARG104 5.0 49.3 1.0 N A:PHE26 5.0 45.6 1.0 CE1 A:TYR33 5.0 47.1 1.0

Iron binding site 2 out of 20 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2005 b:54.1 occ:1.00 FE3 A:F3S2005 0.0 54.1 1.0 S4 A:F3S2005 2.2 54.6 1.0 S3 A:F3S2005 2.2 53.4 1.0 S1 A:F3S2005 2.2 55.1 1.0 SG A:CYS31 2.3 50.3 1.0 FE1 A:F3S2005 2.6 55.1 1.0 FE4 A:F3S2005 2.7 55.1 1.0 CB A:CYS31 3.4 48.2 1.0 ND2 A:ASN245 3.4 48.5 1.0 S2 A:F3S2005 3.6 53.7 1.0 OG A:SER102 4.2 47.9 1.0 N A:CYS31 4.2 47.8 1.0 CG A:ASN245 4.2 48.5 1.0 CB A:ASN245 4.3 48.4 1.0 CB A:VAL29 4.4 49.2 1.0 CA A:CYS31 4.4 48.2 1.0 CG1 A:VAL29 4.5 50.4 1.0 CB A:SER102 4.6 48.6 1.0 SG A:CYS24 4.6 46.1 1.0 N A:SER102 4.7 48.5 1.0 CB A:CYS24 4.7 46.3 1.0 SG A:CYS27 4.7 48.1 1.0

Iron binding site 3 out of 20 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2005 b:55.1 occ:1.00 FE4 A:F3S2005 0.0 55.1 1.0 S3 A:F3S2005 2.2 53.4 1.0 S2 A:F3S2005 2.2 53.7 1.0 S4 A:F3S2005 2.2 54.6 1.0 SG A:CYS27 2.3 48.1 1.0 FE3 A:F3S2005 2.7 54.1 1.0 FE1 A:F3S2005 2.8 55.1 1.0 CB A:CYS27 3.2 47.4 1.0 NH1 A:ARG104 3.7 49.3 1.0 N A:CYS27 3.9 46.4 1.0 CA A:CYS27 3.9 46.9 1.0 S1 A:F3S2005 4.0 55.1 1.0 CB A:VAL29 4.2 49.2 1.0 C A:CYS27 4.2 47.0 1.0 O A:CYS27 4.2 46.9 1.0 OG A:SER102 4.4 47.9 1.0 CG2 A:VAL29 4.5 50.5 1.0 N A:VAL29 4.6 48.2 1.0 SG A:CYS31 4.7 50.3 1.0 SG A:CYS24 4.8 46.1 1.0 CA A:VAL29 4.9 48.7 1.0 N A:GLY30 5.0 47.7 1.0

Iron binding site 4 out of 20 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2006 b:82.9 occ:1.00 FE1 B:FES2006 0.0 82.9 1.0 ND1 B:HIS105 1.9 79.7 1.0 ND1 B:HIS124 2.0 95.2 1.0 S1 B:FES2006 2.2 74.7 1.0 S2 B:FES2006 2.3 85.2 1.0 CE1 B:HIS105 2.8 80.5 1.0 CG B:HIS124 2.9 89.2 1.0 CE1 B:HIS124 3.0 98.8 1.0 CG B:HIS105 3.1 75.2 1.0 FE2 B:FES2006 3.1 79.6 1.0 CB B:HIS124 3.1 81.3 1.0 CB B:HIS105 3.6 70.9 1.0 N B:HIS124 3.7 80.1 1.0 NE2 B:HIS105 3.9 81.5 1.0 CA B:HIS124 4.0 78.1 1.0 CD2 B:HIS124 4.0 94.8 1.0 NE2 B:HIS124 4.1 0.2 1.0 CD2 B:HIS105 4.1 78.6 1.0 N B:LYS106 4.2 71.3 1.0 CB B:LYS106 4.3 77.7 1.0 C B:GLY123 4.4 84.7 1.0 CG B:LYS106 4.5 79.1 1.0 C B:HIS124 4.7 71.5 1.0 SG B:CYS121 4.7 83.7 1.0 CA B:GLY123 4.7 87.6 1.0 SG B:CYS103 4.8 67.4 1.0 CB B:GLN140 4.8 53.7 1.0 CA B:HIS105 4.8 69.5 1.0 C B:HIS105 4.8 71.9 1.0 OG B:SER126 4.9 60.6 1.0 CA B:LYS106 4.9 74.7 1.0

Iron binding site 5 out of 20 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2006 b:79.6 occ:1.00 FE2 B:FES2006 0.0 79.6 1.0 S1 B:FES2006 2.2 74.7 1.0 S2 B:FES2006 2.2 85.2 1.0 SG B:CYS121 2.3 83.7 1.0 SG B:CYS103 2.3 67.4 1.0 CB B:CYS121 3.1 74.2 1.0 FE1 B:FES2006 3.1 82.9 1.0 CB B:CYS103 3.2 65.0 1.0 CB B:HIS105 4.2 70.9 1.0 OG B:SER126 4.2 60.6 1.0 ND1 B:HIS105 4.4 79.7 1.0 CB B:SER126 4.4 59.2 1.0 N B:HIS124 4.4 80.1 1.0 CA B:CYS121 4.5 73.6 1.0 ND1 B:HIS124 4.5 95.2 1.0 CA B:CYS103 4.6 62.5 1.0 N B:LYS106 4.8 71.3 1.0 CG B:HIS105 4.8 75.2 1.0 N B:GLY123 4.8 84.4 1.0 CB B:PHE108 4.9 70.4 1.0 CA B:GLY123 4.9 87.6 1.0 C B:CYS121 4.9 75.6 1.0

Iron binding site 6 out of 20 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2005 b:57.2 occ:1.00 FE1 C:F3S2005 0.0 57.2 1.0 S3 C:F3S2005 2.2 55.0 1.0 S2 C:F3S2005 2.2 56.8 1.0 S1 C:F3S2005 2.2 55.6 1.0 SG C:CYS24 2.3 46.6 1.0 FE3 C:F3S2005 2.6 54.3 1.0 FE4 C:F3S2005 2.9 55.4 1.0 CB C:CYS24 3.1 46.8 1.0 OG C:SER102 3.8 48.0 1.0 S4 C:F3S2005 3.9 56.4 1.0 CA C:GLY105 3.9 46.6 1.0 N C:GLY105 4.1 46.9 1.0 N C:CYS27 4.5 47.5 1.0 CA C:CYS24 4.5 46.4 1.0 SG C:CYS31 4.5 49.8 1.0 CB C:CYS31 4.7 48.5 1.0 OH C:TYR33 4.7 47.2 1.0 CB C:PHE26 4.7 46.8 1.0 CD2 C:PHE26 4.9 46.4 1.0 CE1 C:TYR33 4.9 47.1 1.0 SG C:CYS27 5.0 50.6 1.0 CB C:SER102 5.0 48.6 1.0 N C:PHE26 5.0 46.4 1.0

Iron binding site 7 out of 20 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2005 b:54.3 occ:1.00 FE3 C:F3S2005 0.0 54.3 1.0 S4 C:F3S2005 2.2 56.4 1.0 S3 C:F3S2005 2.2 55.0 1.0 S1 C:F3S2005 2.2 55.6 1.0 SG C:CYS31 2.3 49.8 1.0 FE1 C:F3S2005 2.6 57.2 1.0 FE4 C:F3S2005 2.7 55.4 1.0 CB C:CYS31 3.3 48.5 1.0 ND2 C:ASN245 3.5 48.5 1.0 S2 C:F3S2005 3.7 56.8 1.0 N C:CYS31 4.0 48.4 1.0 OG C:SER102 4.3 48.0 1.0 CG C:ASN245 4.3 48.6 1.0 CA C:CYS31 4.3 48.6 1.0 CB C:VAL29 4.3 50.9 1.0 CB C:ASN245 4.4 48.6 1.0 CG1 C:VAL29 4.6 52.0 1.0 SG C:CYS24 4.6 46.6 1.0 CB C:CYS24 4.6 46.8 1.0 SG C:CYS27 4.7 50.6 1.0 CB C:SER102 4.7 48.6 1.0 N C:SER102 4.9 48.4 1.0 N C:GLY30 4.9 48.7 1.0

Iron binding site 8 out of 20 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe2005 b:55.4 occ:1.00 FE4 C:F3S2005 0.0 55.4 1.0 S2 C:F3S2005 2.2 56.8 1.0 S4 C:F3S2005 2.2 56.4 1.0 S3 C:F3S2005 2.2 55.0 1.0 SG C:CYS27 2.3 50.6 1.0 FE3 C:F3S2005 2.7 54.3 1.0 FE1 C:F3S2005 2.9 57.2 1.0 CB C:CYS27 3.2 48.6 1.0 NH1 C:ARG104 3.8 50.9 1.0 CA C:CYS27 3.9 48.1 1.0 N C:CYS27 3.9 47.5 1.0 S1 C:F3S2005 3.9 55.6 1.0 CB C:VAL29 4.2 50.9 1.0 C C:CYS27 4.2 48.3 1.0 O C:CYS27 4.2 48.0 1.0 OG C:SER102 4.4 48.0 1.0 CG2 C:VAL29 4.5 52.3 1.0 N C:VAL29 4.6 49.8 1.0 SG C:CYS31 4.7 49.8 1.0 SG C:CYS24 4.8 46.6 1.0 CA C:VAL29 4.9 50.7 1.0 N C:GLY30 5.0 48.7 1.0

Iron binding site 9 out of 20 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe2006 b:86.5 occ:1.00 FE1 D:FES2006 0.0 86.5 1.0 ND1 D:HIS124 2.0 79.9 1.0 ND1 D:HIS105 2.0 77.0 1.0 S1 D:FES2006 2.2 79.8 1.0 S2 D:FES2006 2.2 83.1 1.0 CE1 D:HIS105 2.8 76.8 1.0 CG D:HIS124 2.9 75.8 1.0 CE1 D:HIS124 3.0 81.6 1.0 CG D:HIS105 3.1 72.9 1.0 FE2 D:FES2006 3.1 80.9 1.0 CB D:HIS124 3.3 70.0 1.0 CB D:HIS105 3.6 68.8 1.0 N D:HIS124 3.7 68.8 1.0 NE2 D:HIS105 4.0 78.2 1.0 CA D:HIS124 4.1 67.8 1.0 NE2 D:HIS124 4.1 83.7 1.0 CD2 D:HIS124 4.1 80.8 1.0 CD2 D:HIS105 4.1 75.9 1.0 N D:LYS106 4.1 70.9 1.0 CB D:LYS106 4.2 77.5 1.0 CG D:LYS106 4.4 78.5 1.0 C D:GLY123 4.4 72.3 1.0 CA D:GLY123 4.7 73.2 1.0 SG D:CYS121 4.7 70.8 1.0 SG D:CYS103 4.7 64.5 1.0 CA D:HIS105 4.8 67.5 1.0 CA D:LYS106 4.8 74.6 1.0 C D:HIS105 4.8 70.8 1.0 C D:HIS124 4.8 62.8 1.0 CB D:GLN140 5.0 51.5 1.0

Iron binding site 10 out of 20 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


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 the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe2006 b:80.9 occ:1.00 FE2 D:FES2006 0.0 80.9 1.0 S2 D:FES2006 2.2 83.1 1.0 S1 D:FES2006 2.2 79.8 1.0 SG D:CYS103 2.3 64.5 1.0 SG D:CYS121 2.3 70.8 1.0 CB D:CYS103 3.0 63.1 1.0 FE1 D:FES2006 3.1 86.5 1.0 CB D:CYS121 3.2 63.1 1.0 CB D:HIS105 4.2 68.8 1.0 ND1 D:HIS105 4.4 77.0 1.0 OG D:SER126 4.4 52.7 1.0 CA D:CYS103 4.5 61.1 1.0 N D:HIS124 4.5 68.8 1.0 CA D:CYS121 4.6 63.0 1.0 CB D:SER126 4.6 51.2 1.0 ND1 D:HIS124 4.6 79.9 1.0 N D:LYS106 4.6 70.9 1.0 CB D:PHE108 4.7 71.7 1.0 CG D:HIS105 4.8 72.9 1.0 N D:GLY123 4.8 71.3 1.0 CA D:GLY123 4.9 73.2 1.0 N D:HIS105 5.0 64.2 1.0 C D:CYS121 5.0 65.2 1.0

T.P.Warelow, M.Oke, B.Schoepp-Cothenet, J.U.Dahl, N.Bruselat, G.N.Sivalingam, S.Leimkuhler, K.Thalassinos, U.Kappler, J.H.Naismith, J.M.Santini. The Respiratory Arsenite Oxidase: Structure and the Role of Residues Surrounding the Rieske Cluster. Plos One V. 8 72535 2013.
ISSN: ISSN 1932-6203
PubMed: 24023621
DOI: 10.1371/JOURNAL.PONE.0072535