Iron in PDB 8ch9: Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion

All present enzymatic activity of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion:
1.20.9.1;

The structure of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion, PDB code: 8ch9 was solved by F.Engrola, M.A.S.Correia, M.J.Romao, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.47 / 1.43
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	90.288, 109.95, 117.424, 98.33, 89.97, 96.58
R / Rfree (%)	16.7 / 19.5

The structure of Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion also contains other interesting chemical elements:

Arsenic	(As)	4 atoms
Molybdenum	(Mo)	4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion (pdb code 8ch9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 24 binding sites of Iron where determined in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion, PDB code: 8ch9:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe903 b:8.1 occ:1.00 FE1 A:F3S903 0.0 8.1 1.0 S1 A:F3S903 2.2 8.1 1.0 S2 A:F3S903 2.2 8.7 1.0 S3 A:F3S903 2.3 8.2 1.0 SG A:CYS21 2.3 8.8 1.0 FE3 A:F3S903 2.7 8.6 1.0 FE4 A:F3S903 2.7 8.5 1.0 CB A:CYS21 3.2 8.3 1.0 S4 A:F3S903 3.8 8.9 1.0 OG A:SER99 3.9 7.3 1.0 CA A:GLY102 4.0 8.4 1.0 N A:GLY102 4.0 8.2 1.0 N A:CYS24 4.3 9.1 1.0 CB A:PHE23 4.6 8.1 1.0 CA A:CYS21 4.6 7.7 1.0 SG A:CYS28 4.7 8.7 1.0 CB A:CYS28 4.8 7.4 1.0 OH A:TYR30 4.8 8.2 1.0 SG A:CYS24 4.8 8.6 1.0 CB A:SER99 4.9 7.7 1.0 N A:PHE23 4.9 7.7 1.0

Iron binding site 2 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe903 b:8.6 occ:1.00 FE3 A:F3S903 0.0 8.6 1.0 S4 A:F3S903 2.2 8.9 1.0 S3 A:F3S903 2.3 8.2 1.0 S1 A:F3S903 2.3 8.1 1.0 SG A:CYS28 2.3 8.7 1.0 FE4 A:F3S903 2.6 8.5 1.0 FE1 A:F3S903 2.7 8.1 1.0 CB A:CYS28 3.2 7.4 1.0 ND2 A:ASN241 3.6 7.5 1.0 S2 A:F3S903 3.9 8.7 1.0 N A:CYS28 4.0 7.1 1.0 CA A:CYS28 4.2 7.3 1.0 CG A:ASN241 4.3 7.5 1.0 CB A:ASN241 4.3 7.9 1.0 CB A:VAL26 4.4 8.3 1.0 CG1 A:VAL26 4.5 8.3 1.0 OG A:SER99 4.5 7.3 1.0 CB A:SER99 4.6 7.7 1.0 CB A:CYS21 4.6 8.3 1.0 SG A:CYS21 4.7 8.8 1.0 N A:SER99 4.7 7.6 1.0 SG A:CYS24 4.7 8.6 1.0 N A:GLY27 4.9 7.2 1.0

Iron binding site 3 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe903 b:8.5 occ:1.00 FE4 A:F3S903 0.0 8.5 1.0 S4 A:F3S903 2.2 8.9 1.0 S3 A:F3S903 2.2 8.2 1.0 S2 A:F3S903 2.3 8.7 1.0 SG A:CYS24 2.3 8.6 1.0 FE3 A:F3S903 2.6 8.6 1.0 FE1 A:F3S903 2.7 8.1 1.0 CB A:CYS24 3.4 8.2 1.0 NH2 A:ARG101 3.8 10.4 1.0 N A:CYS24 3.8 9.1 1.0 CA A:CYS24 3.9 6.9 1.0 S1 A:F3S903 4.0 8.1 1.0 O A:CYS24 4.1 8.5 1.0 CB A:VAL26 4.2 8.3 1.0 C A:CYS24 4.2 7.1 1.0 OG A:SER99 4.5 7.3 1.0 CG2 A:VAL26 4.5 9.6 1.0 N A:VAL26 4.6 7.8 1.0 SG A:CYS28 4.7 8.7 1.0 SG A:CYS21 4.7 8.8 1.0 CZ A:ARG101 4.8 10.3 1.0 N A:GLY27 4.8 7.2 1.0 NE A:ARG101 4.8 9.1 1.0 CA A:VAL26 4.9 8.2 1.0 CB A:SER99 5.0 7.7 1.0

Iron binding site 4 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe904 b:13.0 occ:0.60 FE2 A:FC6904 0.0 13.0 0.6 C23 A:FC6904 1.7 19.0 1.0 C21 A:FC6904 1.7 19.0 1.0 C22 A:FC6904 1.8 21.4 1.0 C24 A:FC6904 1.8 19.8 1.0 C26 A:FC6904 1.8 19.2 1.0 C11 A:FC6904 1.9 20.1 1.0 N23 A:FC6904 2.8 23.9 1.0 N22 A:FC6904 2.9 26.6 1.0 N25 A:FC6904 2.9 21.1 1.0 N24 A:FC6904 3.0 26.9 1.0 N11 A:FC6904 3.0 18.4 1.0 N21 A:FC6904 3.1 18.2 1.0 NZ A:LYS806 4.4 13.5 1.0 NZ A:LYS814 4.5 14.3 1.0 O A:HOH1433 4.6 20.0 1.0

Iron binding site 5 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:11.2 occ:1.00 FE1 B:FES201 0.0 11.2 1.0 S1 B:FES201 2.2 10.0 1.0 S2 B:FES201 2.3 11.7 1.0 SG B:CYS60 2.3 10.4 1.0 SG B:CYS78 2.3 12.0 1.0 FE2 B:FES201 2.7 12.6 1.0 CB B:CYS60 3.1 7.9 1.0 CB B:CYS78 3.2 12.4 1.0 CB B:HIS62 4.0 8.8 1.0 N B:HIS81 4.4 10.2 1.0 ND1 B:HIS62 4.4 7.9 1.0 ND1 B:HIS81 4.5 10.6 1.0 CB B:CYS80 4.5 14.1 1.0 OG1 B:THR83 4.5 11.6 1.0 CB B:THR83 4.6 10.0 1.0 CA B:CYS60 4.6 8.7 1.0 N B:MET63 4.6 9.2 1.0 CA B:CYS78 4.6 11.5 1.0 CB B:CYS65 4.6 13.4 1.0 CG B:HIS62 4.6 8.8 1.0 N B:HIS62 4.9 9.2 1.0 N B:CYS65 4.9 10.1 1.0 CA B:HIS62 4.9 8.6 1.0 N B:CYS80 5.0 14.2 1.0

Iron binding site 6 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:12.6 occ:1.00 FE2 B:FES201 0.0 12.6 1.0 ND1 B:HIS81 2.1 10.6 1.0 ND1 B:HIS62 2.2 7.9 1.0 S1 B:FES201 2.2 10.0 1.0 S2 B:FES201 2.3 11.7 1.0 FE1 B:FES201 2.7 11.2 1.0 CG B:HIS81 3.1 10.7 1.0 CE1 B:HIS81 3.1 12.7 1.0 CG B:HIS62 3.1 8.8 1.0 CE1 B:HIS62 3.2 9.6 1.0 CB B:HIS81 3.3 10.6 1.0 CB B:HIS62 3.4 8.8 1.0 N B:HIS81 3.7 10.2 1.0 CA B:HIS81 4.0 9.8 1.0 N B:MET63 4.2 9.2 1.0 NE2 B:HIS81 4.2 12.0 1.0 CD2 B:HIS81 4.2 11.5 1.0 CD2 B:HIS62 4.2 9.8 1.0 NE2 B:HIS62 4.3 9.7 1.0 CB B:CYS80 4.4 14.1 1.0 SG B:CYS60 4.5 10.4 1.0 CG B:MET63 4.5 8.8 1.0 CB B:MET63 4.5 8.6 1.0 SG B:CYS78 4.5 12.0 1.0 CA B:HIS62 4.6 8.6 1.0 C B:CYS80 4.7 12.7 1.0 C B:HIS81 4.7 11.5 1.0 SD B:MET63 4.7 11.5 1.0 C B:HIS62 4.7 10.5 1.0 OG1 B:THR83 4.9 11.6 1.0 CA B:MET63 4.9 8.9 1.0

Iron binding site 7 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe903 b:9.2 occ:1.00 FE1 C:F3S903 0.0 9.2 1.0 S1 C:F3S903 2.3 9.7 1.0 S2 C:F3S903 2.3 9.6 1.0 S3 C:F3S903 2.3 9.4 1.0 SG C:CYS21 2.3 9.8 1.0 FE3 C:F3S903 2.7 9.7 1.0 FE4 C:F3S903 2.7 9.3 1.0 CB C:CYS21 3.1 9.2 1.0 S4 C:F3S903 3.9 9.4 1.0 OG C:SER99 3.9 7.7 1.0 CA C:GLY102 4.0 9.5 1.0 N C:GLY102 4.0 9.5 1.0 N C:CYS24 4.3 8.1 1.0 CB C:PHE23 4.6 8.2 1.0 CA C:CYS21 4.6 9.2 1.0 SG C:CYS28 4.7 9.3 1.0 CB C:CYS28 4.8 9.2 1.0 OH C:TYR30 4.8 7.9 1.0 SG C:CYS24 4.8 9.3 1.0 CB C:SER99 4.8 8.3 1.0 N C:PHE23 4.9 8.1 1.0

Iron binding site 8 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe903 b:9.7 occ:1.00 FE3 C:F3S903 0.0 9.7 1.0 S4 C:F3S903 2.2 9.4 1.0 S1 C:F3S903 2.3 9.7 1.0 S3 C:F3S903 2.3 9.4 1.0 SG C:CYS28 2.4 9.3 1.0 FE1 C:F3S903 2.7 9.2 1.0 FE4 C:F3S903 2.7 9.3 1.0 CB C:CYS28 3.3 9.2 1.0 ND2 C:ASN241 3.6 8.8 1.0 S2 C:F3S903 3.9 9.6 1.0 N C:CYS28 4.1 8.1 1.0 CG C:ASN241 4.3 8.7 1.0 CA C:CYS28 4.3 8.1 1.0 CB C:ASN241 4.3 8.6 1.0 CB C:VAL26 4.4 9.2 1.0 OG C:SER99 4.5 7.7 1.0 CG1 C:VAL26 4.5 10.2 1.0 CB C:SER99 4.5 8.3 1.0 CB C:CYS21 4.6 9.2 1.0 N C:SER99 4.7 9.7 1.0 SG C:CYS21 4.7 9.8 1.0 SG C:CYS24 4.7 9.3 1.0 N C:GLY27 4.8 10.0 1.0

Iron binding site 9 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe903 b:9.3 occ:1.00 FE4 C:F3S903 0.0 9.3 1.0 SG C:CYS24 2.2 9.3 1.0 S4 C:F3S903 2.3 9.4 1.0 S2 C:F3S903 2.3 9.6 1.0 S3 C:F3S903 2.3 9.4 1.0 FE3 C:F3S903 2.7 9.7 1.0 FE1 C:F3S903 2.7 9.2 1.0 CB C:CYS24 3.4 7.8 1.0 NH2 C:ARG101 3.8 11.1 1.0 N C:CYS24 3.8 8.1 1.0 CA C:CYS24 3.9 8.0 1.0 S1 C:F3S903 4.0 9.7 1.0 CB C:VAL26 4.1 9.2 1.0 O C:CYS24 4.2 10.2 1.0 C C:CYS24 4.2 8.6 1.0 CG2 C:VAL26 4.4 9.9 1.0 OG C:SER99 4.5 7.7 1.0 N C:VAL26 4.6 8.8 1.0 CZ C:ARG101 4.7 10.4 1.0 NE C:ARG101 4.7 10.3 1.0 SG C:CYS28 4.8 9.3 1.0 SG C:CYS21 4.8 9.8 1.0 N C:GLY27 4.8 10.0 1.0 CA C:VAL26 4.9 9.5 1.0 CB C:SER99 4.9 8.3 1.0

Iron binding site 10 out of 24 in the Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion


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 Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe905 b:16.0 occ:0.70 FE2 C:FC6905 0.0 16.0 0.7 C21 C:FC6905 1.7 18.5 1.0 C23 C:FC6905 1.8 17.7 1.0 C22 C:FC6905 1.8 19.5 1.0 C24 C:FC6905 1.8 22.3 1.0 C26 C:FC6905 1.8 21.0 1.0 C11 C:FC6905 1.9 20.8 1.0 N25 C:FC6905 2.8 30.9 1.0 N23 C:FC6905 2.9 23.6 1.0 N22 C:FC6905 2.9 20.4 1.0 N24 C:FC6905 3.0 31.6 1.0 N21 C:FC6905 3.0 24.6 1.0 N11 C:FC6905 3.0 19.3 1.0 OG C:SER809 4.1 22.0 0.5 NZ C:LYS806 4.3 14.3 1.0 NZ C:LYS814 4.5 16.3 1.0 O C:HOH1484 4.6 26.1 1.0 O C:HOH1516 4.7 45.4 1.0 O C:HOH1055 4.9 42.1 1.0

F.Engrola, M.A.S.Correia, M.J.Romao, T.Santos-Silva. Crystal Structure of Arsenite Oxidase From Alcaligenes Faecalis (Af Aio) Bound to Arsenic Oxyanion To Be Published.