Iron in PDB 2biw: Crystal Structure of Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme

The structure of Crystal Structure of Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme, PDB code: 2biw was solved by D.P.Kloer, S.Ruch, S.Al-Babili, P.Beyer, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.41 / 2.39
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	119.046, 125.278, 203.086, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.4

The binding sites of Iron atom in the Crystal Structure of Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme (pdb code 2biw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme, PDB code: 2biw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme


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 Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1492 b:43.6 occ:1.00 O A:HOH2089 2.1 41.2 1.0 NE2 A:HIS238 2.1 56.9 1.0 NE2 A:HIS183 2.1 61.7 1.0 NE2 A:HIS304 2.2 64.4 1.0 NE2 A:HIS484 2.2 59.3 1.0 CE1 A:HIS238 2.9 57.9 1.0 CD2 A:HIS484 3.0 59.5 1.0 CE1 A:HIS183 3.1 60.1 1.0 CD2 A:HIS304 3.1 59.4 1.0 CD2 A:HIS183 3.1 59.3 1.0 CD2 A:HIS238 3.2 58.0 1.0 CE1 A:HIS304 3.2 61.9 1.0 CE1 A:HIS484 3.3 60.3 1.0 O A:HOH2035 4.0 46.0 1.0 ND1 A:HIS238 4.1 57.2 1.0 CG A:HIS484 4.2 58.5 1.0 ND1 A:HIS183 4.2 60.0 1.0 CG A:HIS238 4.2 59.4 1.0 CG A:HIS304 4.3 60.7 1.0 CG A:HIS183 4.3 62.2 1.0 ND1 A:HIS484 4.3 57.0 1.0 ND1 A:HIS304 4.3 61.2 1.0 CG2 A:THR136 4.4 58.3 1.0 C21 A:3ON1491 4.6 66.1 1.0 C22 A:3ON1491 4.7 73.2 1.0 C20 A:3ON1491 4.9 63.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme


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 Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1492 b:45.6 occ:1.00 O B:HOH2079 2.1 49.6 1.0 NE2 B:HIS304 2.1 62.6 1.0 NE2 B:HIS238 2.2 57.6 1.0 NE2 B:HIS183 2.2 63.2 1.0 NE2 B:HIS484 2.2 60.0 1.0 CE1 B:HIS183 3.0 62.7 1.0 CD2 B:HIS484 3.0 56.4 1.0 CE1 B:HIS304 3.1 60.3 1.0 CD2 B:HIS304 3.1 60.4 1.0 CE1 B:HIS238 3.1 61.2 1.0 CD2 B:HIS238 3.2 59.8 1.0 CE1 B:HIS484 3.2 61.0 1.0 CD2 B:HIS183 3.3 60.2 1.0 O B:HOH2022 4.0 58.1 1.0 CG B:HIS484 4.2 56.3 1.0 ND1 B:HIS183 4.2 60.5 1.0 ND1 B:HIS304 4.2 63.6 1.0 CG B:HIS304 4.2 62.1 1.0 ND1 B:HIS238 4.3 60.4 1.0 ND1 B:HIS484 4.3 59.1 1.0 CG B:HIS238 4.3 59.5 1.0 CG B:HIS183 4.3 60.6 1.0 CG2 B:THR136 4.5 58.0 1.0 C21 B:3ON1491 4.6 70.4 1.0 C22 B:3ON1491 4.7 76.8 1.0 C20 B:3ON1491 4.9 65.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme


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 Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1492 b:51.2 occ:1.00 O C:HOH2121 1.9 47.6 1.0 NE2 C:HIS238 2.1 57.9 1.0 NE2 C:HIS183 2.1 64.3 1.0 NE2 C:HIS304 2.1 63.0 1.0 NE2 C:HIS484 2.2 59.6 1.0 CE1 C:HIS183 3.0 64.0 1.0 CD2 C:HIS484 3.0 61.4 1.0 CD2 C:HIS304 3.0 63.1 1.0 CD2 C:HIS238 3.0 59.4 1.0 CE1 C:HIS238 3.1 62.2 1.0 CE1 C:HIS484 3.1 60.9 1.0 CD2 C:HIS183 3.2 62.1 1.0 CE1 C:HIS304 3.2 60.1 1.0 O C:HOH2042 3.9 50.0 1.0 CG C:HIS484 4.1 60.5 1.0 ND1 C:HIS484 4.1 61.7 1.0 ND1 C:HIS183 4.1 62.8 1.0 ND1 C:HIS238 4.2 62.0 1.0 CG C:HIS238 4.2 58.9 1.0 CG C:HIS304 4.2 63.6 1.0 ND1 C:HIS304 4.3 63.5 1.0 CG C:HIS183 4.3 62.4 1.0 CG2 C:THR136 4.3 59.0 1.0 C22 C:3ON1491 4.4 85.1 1.0 C21 C:3ON1491 4.9 81.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme


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 Apocarotenoid Cleavage Oxygenase From Synechocystis, Native Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1492 b:52.0 occ:1.00 O D:HOH2052 1.8 42.8 1.0 NE2 D:HIS183 2.0 62.2 1.0 NE2 D:HIS238 2.1 59.3 1.0 NE2 D:HIS304 2.2 61.6 1.0 NE2 D:HIS484 2.3 60.5 1.0 CE1 D:HIS183 2.8 64.2 1.0 CD2 D:HIS238 3.0 60.2 1.0 CD2 D:HIS484 3.0 59.0 1.0 CD2 D:HIS304 3.1 59.6 1.0 CD2 D:HIS183 3.2 62.9 1.0 CE1 D:HIS238 3.2 62.0 1.0 CE1 D:HIS304 3.2 59.1 1.0 CE1 D:HIS484 3.3 60.8 1.0 O D:HOH2020 3.7 57.1 1.0 ND1 D:HIS183 4.0 61.9 1.0 CG D:HIS484 4.2 60.9 1.0 CG D:HIS238 4.2 61.6 1.0 CG D:HIS183 4.2 63.1 1.0 CG D:HIS304 4.2 59.9 1.0 ND1 D:HIS238 4.3 61.1 1.0 ND1 D:HIS484 4.3 58.2 1.0 ND1 D:HIS304 4.3 61.3 1.0 CG2 D:THR136 4.5 62.6 1.0 C22 D:3ON1491 4.6 86.0 1.0 C21 D:3ON1491 4.8 82.3 1.0 C23 D:3ON1491 5.0 86.9 1.0

D.P.Kloer, S.Ruch, S.Al-Babili, P.Beyer, G.E.Schulz. The Structure of A Retinal-Forming Carotenoid Oxygenase Science V. 308 267 2005.
ISSN: ISSN 0036-8075
PubMed: 15821095
DOI: 10.1126/SCIENCE.1108965