Iron in PDB 8fty: Crystal Structure of the Carotenoid Isomerooxygenase, Ninab

The structure of Crystal Structure of the Carotenoid Isomerooxygenase, Ninab, PDB code: 8fty was solved by P.D.Kiser, Y.J.Solano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.67 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	349.934, 52.036, 210.036, 90, 98.95, 90
R / Rfree (%)	21.7 / 24.7

The structure of Crystal Structure of the Carotenoid Isomerooxygenase, Ninab also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Chlorine	(Cl)	3 atoms
Arsenic	(As)	1 atom

The binding sites of Iron atom in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab (pdb code 8fty). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab, PDB code: 8fty:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:34.6 occ:1.00 NE2 A:HIS312 2.1 28.6 1.0 NE2 A:HIS242 2.1 33.5 1.0 O A:HOH740 2.2 27.8 1.0 NE2 A:HIS184 2.2 29.8 1.0 NE2 A:HIS501 2.2 26.8 1.0 CE1 A:HIS312 3.0 28.9 1.0 CE1 A:HIS242 3.1 34.1 1.0 CD2 A:HIS312 3.1 27.8 1.0 CE1 A:HIS184 3.1 28.7 1.0 CD2 A:HIS501 3.1 27.0 1.0 CE1 A:HIS501 3.1 26.6 1.0 CD2 A:HIS242 3.1 32.4 1.0 CD2 A:HIS184 3.2 29.5 1.0 O2 A:MPD602 3.9 50.2 1.0 ND1 A:HIS312 4.2 28.0 1.0 ND1 A:HIS501 4.2 26.8 1.0 CG A:HIS501 4.2 27.5 1.0 ND1 A:HIS242 4.2 33.0 1.0 CG A:HIS312 4.2 27.9 1.0 ND1 A:HIS184 4.2 28.8 1.0 CG2 A:ILE138 4.2 33.5 1.0 CG A:HIS242 4.3 32.6 1.0 CG A:HIS184 4.3 29.2 1.0 OG A:SER183 5.0 34.0 1.0

Iron binding site 2 out of 8 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1000 b:27.1 occ:1.00 NE2 B:HIS312 2.1 24.8 1.0 NE2 B:HIS242 2.1 27.1 1.0 NE2 B:HIS184 2.2 26.3 1.0 NE2 B:HIS501 2.2 22.4 1.0 O B:HOH1130 2.3 30.9 1.0 CE1 B:HIS312 3.0 24.9 1.0 CE1 B:HIS242 3.1 26.7 1.0 CE1 B:HIS184 3.1 25.6 1.0 CE1 B:HIS501 3.1 22.2 1.0 CD2 B:HIS312 3.1 24.7 1.0 CD2 B:HIS501 3.1 23.2 1.0 CD2 B:HIS242 3.1 25.8 1.0 CD2 B:HIS184 3.2 25.2 1.0 O B:HOH1387 3.8 41.9 1.0 O2 B:MPD1001 3.8 48.0 1.0 ND1 B:HIS501 4.1 23.4 1.0 ND1 B:HIS312 4.2 24.7 1.0 CG B:HIS501 4.2 24.2 1.0 ND1 B:HIS242 4.2 26.6 1.0 ND1 B:HIS184 4.2 25.2 1.0 CG B:HIS312 4.2 24.9 1.0 CG B:HIS184 4.3 25.2 1.0 CG B:HIS242 4.3 26.1 1.0 CG2 B:ILE138 4.3 27.8 1.0 OG B:SER183 5.0 26.6 1.0

Iron binding site 3 out of 8 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:25.6 occ:1.00 O C:HOH1205 1.9 21.1 1.0 NE2 C:HIS184 2.1 21.0 1.0 NE2 C:HIS312 2.1 25.0 1.0 NE2 C:HIS242 2.1 28.7 1.0 NE2 C:HIS501 2.2 22.7 1.0 CE1 C:HIS184 3.1 20.6 1.0 CE1 C:HIS312 3.1 23.9 1.0 CE1 C:HIS242 3.1 29.5 1.0 CD2 C:HIS184 3.1 21.8 1.0 CD2 C:HIS312 3.1 23.9 1.0 CD2 C:HIS501 3.1 22.6 1.0 CE1 C:HIS501 3.1 22.1 1.0 CD2 C:HIS242 3.1 28.3 1.0 O2 C:MPD602 4.0 48.7 1.0 ND1 C:HIS501 4.2 22.0 1.0 ND1 C:HIS184 4.2 20.5 1.0 ND1 C:HIS312 4.2 23.7 1.0 CG C:HIS501 4.2 22.9 1.0 ND1 C:HIS242 4.2 29.5 1.0 CG C:HIS184 4.2 21.8 1.0 CG2 C:ILE138 4.2 24.3 1.0 CG C:HIS312 4.2 24.6 1.0 CG C:HIS242 4.3 28.4 1.0 OG C:SER183 4.9 28.2 1.0

Iron binding site 4 out of 8 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:31.0 occ:1.00 O D:HOH2178 2.0 29.8 1.0 NE2 D:HIS312 2.1 27.0 1.0 NE2 D:HIS242 2.2 34.4 1.0 NE2 D:HIS184 2.2 23.7 1.0 NE2 D:HIS501 2.2 28.2 1.0 CE1 D:HIS312 3.1 27.4 1.0 CD2 D:HIS501 3.1 27.7 1.0 CE1 D:HIS242 3.1 33.2 1.0 CE1 D:HIS184 3.1 24.1 1.0 CE1 D:HIS501 3.1 26.7 1.0 CD2 D:HIS312 3.2 27.1 1.0 CD2 D:HIS242 3.2 34.1 1.0 CD2 D:HIS184 3.2 24.1 1.0 O2 D:MPD602 3.8 54.2 1.0 ND1 D:HIS501 4.2 26.4 1.0 CG D:HIS501 4.2 28.8 1.0 ND1 D:HIS312 4.2 27.1 1.0 ND1 D:HIS242 4.2 33.2 1.0 CG2 D:ILE138 4.2 29.5 1.0 ND1 D:HIS184 4.2 24.5 1.0 CG D:HIS312 4.3 27.6 1.0 CG D:HIS242 4.3 32.6 1.0 CG D:HIS184 4.3 25.6 1.0 C1 D:MPD602 5.0 52.7 1.0 OG D:SER183 5.0 31.6 1.0

Iron binding site 5 out of 8 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe601 b:27.0 occ:1.00 NE2 E:HIS312 2.1 24.3 1.0 NE2 E:HIS501 2.2 25.5 1.0 NE2 E:HIS184 2.2 23.5 1.0 NE2 E:HIS242 2.2 23.3 1.0 O E:HOH726 2.3 27.1 1.0 CD2 E:HIS501 3.0 26.5 1.0 CE1 E:HIS501 3.1 25.4 1.0 CE1 E:HIS312 3.1 24.1 1.0 CE1 E:HIS184 3.1 23.3 1.0 CE1 E:HIS242 3.1 24.5 1.0 CD2 E:HIS312 3.1 24.5 1.0 CD2 E:HIS184 3.2 23.2 1.0 CD2 E:HIS242 3.2 22.9 1.0 O E:HOH1003 3.9 44.4 1.0 O2 E:MPD602 4.1 42.2 1.0 ND1 E:HIS501 4.1 25.0 1.0 CG E:HIS501 4.1 25.6 1.0 CG2 E:ILE138 4.2 29.7 1.0 ND1 E:HIS312 4.2 23.3 1.0 ND1 E:HIS184 4.2 22.1 1.0 ND1 E:HIS242 4.3 23.2 1.0 CG E:HIS312 4.3 23.8 1.0 CG E:HIS184 4.3 22.8 1.0 CG E:HIS242 4.3 23.8 1.0 OG E:SER183 5.0 28.2 1.0

Iron binding site 6 out of 8 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe1000 b:23.2 occ:1.00 NE2 F:HIS312 2.1 24.1 1.0 O F:HOH1220 2.1 19.9 1.0 NE2 F:HIS184 2.1 21.0 1.0 NE2 F:HIS242 2.1 21.0 1.0 NE2 F:HIS501 2.2 24.7 1.0 CE1 F:HIS312 3.0 25.4 1.0 CE1 F:HIS184 3.1 21.2 1.0 CE1 F:HIS242 3.1 21.5 1.0 CD2 F:HIS501 3.1 24.4 1.0 CE1 F:HIS501 3.1 24.3 1.0 CD2 F:HIS312 3.1 24.0 1.0 CD2 F:HIS184 3.1 20.9 1.0 CD2 F:HIS242 3.2 20.8 1.0 O F:HOH1397 3.7 33.3 1.0 ND1 F:HIS501 4.1 23.8 1.0 O2 F:MPD1001 4.2 46.2 1.0 CG F:HIS501 4.2 24.4 1.0 ND1 F:HIS312 4.2 24.1 1.0 ND1 F:HIS184 4.2 20.8 1.0 ND1 F:HIS242 4.2 20.6 1.0 CG F:HIS312 4.2 24.4 1.0 CG2 F:ILE138 4.2 26.3 1.0 CG F:HIS184 4.2 20.3 1.0 CG F:HIS242 4.3 20.9 1.0 OG F:SER183 5.0 25.6 1.0

Iron binding site 7 out of 8 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe601 b:24.6 occ:1.00 O G:HOH808 2.0 17.1 1.0 NE2 G:HIS312 2.1 25.6 1.0 NE2 G:HIS242 2.1 26.7 1.0 NE2 G:HIS184 2.2 20.8 1.0 NE2 G:HIS501 2.2 26.9 1.0 CE1 G:HIS312 3.0 25.4 1.0 CE1 G:HIS242 3.0 27.6 1.0 CD2 G:HIS242 3.1 26.9 1.0 CD2 G:HIS312 3.1 25.1 1.0 CD2 G:HIS501 3.1 24.9 1.0 CE1 G:HIS184 3.1 21.6 1.0 CE1 G:HIS501 3.1 25.5 1.0 CD2 G:HIS184 3.2 20.8 1.0 O2 G:MPD602 4.0 50.2 1.0 ND1 G:HIS312 4.2 24.7 1.0 ND1 G:HIS242 4.2 25.9 1.0 ND1 G:HIS501 4.2 25.0 1.0 CG G:HIS501 4.2 25.8 1.0 CG G:HIS242 4.2 26.4 1.0 CG G:HIS312 4.2 24.3 1.0 CG2 G:ILE138 4.2 29.7 1.0 ND1 G:HIS184 4.3 20.9 1.0 CG G:HIS184 4.3 21.2 1.0 OG G:SER183 5.0 28.0 1.0

Iron binding site 8 out of 8 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe1000 b:28.4 occ:1.00 O H:HOH1110 2.0 29.7 1.0 NE2 H:HIS312 2.1 26.7 1.0 NE2 H:HIS242 2.1 28.5 1.0 NE2 H:HIS184 2.2 26.7 1.0 NE2 H:HIS501 2.3 27.1 1.0 CE1 H:HIS312 3.0 27.0 1.0 CE1 H:HIS242 3.1 29.3 1.0 CD2 H:HIS312 3.1 27.0 1.0 CD2 H:HIS242 3.1 28.2 1.0 CE1 H:HIS184 3.1 26.6 1.0 CD2 H:HIS501 3.1 27.9 1.0 CE1 H:HIS501 3.1 26.6 1.0 CD2 H:HIS184 3.2 25.0 1.0 O2 H:MPD1001 3.7 51.1 1.0 ND1 H:HIS312 4.1 26.9 1.0 ND1 H:HIS242 4.2 29.1 1.0 ND1 H:HIS501 4.2 26.7 1.0 CG H:HIS312 4.2 27.1 1.0 CG H:HIS501 4.2 28.9 1.0 CG H:HIS242 4.2 28.9 1.0 ND1 H:HIS184 4.2 27.1 1.0 CG H:HIS184 4.3 26.3 1.0 CG2 H:ILE138 4.3 31.8 1.0 C2 H:MPD1001 4.9 48.5 1.0 OG H:SER183 5.0 28.6 1.0

Y.J.Solano, P.D.Kiser. Structure of the Carotenoid Isomerooxygenase To Be Published.