Iron in PDB 5kjd: Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN

All present enzymatic activity of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN:
1.13.11.75;

The structure of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN, PDB code: 5kjd was solved by X.Sui, P.D.Kiser, K.Palczewski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.42 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.530, 125.500, 203.600, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 24.7

The binding sites of Iron atom in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN (pdb code 5kjd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN, PDB code: 5kjd:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:75.1 occ:1.00 NE2 A:HIS304 2.5 80.2 1.0 NE2 A:HIS183 2.5 43.0 1.0 NE2 A:HIS484 2.6 41.7 1.0 CE1 A:HIS183 2.7 45.1 1.0 CE1 A:HIS304 3.2 81.7 1.0 NE2 A:HIS238 3.3 0.9 1.0 CD2 A:HIS484 3.3 43.2 1.0 CD2 A:HIS304 3.6 77.5 1.0 CE1 A:HIS484 3.7 45.8 1.0 CD2 A:HIS183 3.8 40.8 1.0 ND1 A:HIS183 4.0 44.4 1.0 CD2 A:HIS238 4.1 0.5 1.0 CE1 A:HIS238 4.2 0.8 1.0 ND1 A:HIS304 4.4 74.4 1.0 CG A:HIS484 4.5 40.5 1.0 CG2 A:THR136 4.6 32.0 1.0 CG A:HIS183 4.6 41.3 1.0 CG A:HIS304 4.6 71.8 1.0 ND1 A:HIS484 4.7 43.1 1.0

Iron binding site 2 out of 5 in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:62.5 occ:1.00 NE2 B:HIS304 2.6 70.2 1.0 NE2 B:HIS183 2.7 32.6 1.0 NE2 B:HIS484 2.7 34.9 1.0 CE1 B:HIS183 2.7 35.7 1.0 NE2 B:HIS238 3.2 0.8 1.0 CD2 B:HIS484 3.3 35.6 1.0 CE1 B:HIS304 3.3 75.3 1.0 CD2 B:HIS304 3.8 67.4 1.0 CE1 B:HIS484 3.9 37.8 1.0 CD2 B:HIS183 4.0 33.8 1.0 ND1 B:HIS183 4.1 34.6 1.0 CE1 B:HIS238 4.1 0.3 1.0 CD2 B:HIS238 4.2 93.9 1.0 CG2 B:THR136 4.4 28.1 1.0 ND1 B:HIS304 4.5 71.7 1.0 CG B:HIS484 4.6 38.3 1.0 CG B:HIS183 4.7 32.3 1.0 CG B:HIS304 4.8 65.5 1.0 ND1 B:HIS484 4.8 37.5 1.0

Iron binding site 3 out of 5 in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:75.4 occ:1.00 NE2 C:HIS484 2.6 44.1 1.0 NE2 C:HIS304 2.7 67.7 1.0 NE2 C:HIS183 2.9 57.8 1.0 CE1 C:HIS183 3.0 55.5 1.0 CD2 C:HIS484 3.2 43.9 1.0 CE1 C:HIS304 3.3 68.1 1.0 NE2 C:HIS238 3.5 0.7 1.0 CE1 C:HIS484 3.7 48.8 1.0 CD2 C:HIS304 3.9 67.7 1.0 CD2 C:HIS183 4.2 57.5 1.0 CE1 C:HIS238 4.3 0.5 1.0 ND1 C:HIS183 4.4 51.0 1.0 CD2 C:HIS238 4.4 0.1 1.0 CG C:HIS484 4.5 45.1 1.0 CG2 C:THR136 4.5 37.5 1.0 ND1 C:HIS304 4.5 60.6 1.0 ND1 C:HIS484 4.7 50.1 1.0 CG C:HIS304 4.9 56.6 1.0 CG C:HIS183 5.0 47.8 1.0

Iron binding site 4 out of 5 in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:74.7 occ:1.00 NE2 D:HIS484 2.4 51.8 1.0 NE2 D:HIS183 2.4 59.3 1.0 CE1 D:HIS183 2.7 59.0 1.0 NE2 D:HIS304 2.7 72.8 1.0 CD2 D:HIS484 3.0 51.4 1.0 CE1 D:HIS304 3.3 74.6 1.0 NE2 D:HIS238 3.5 0.9 1.0 CE1 D:HIS484 3.6 51.8 1.0 CD2 D:HIS183 3.8 59.5 1.0 CD2 D:HIS304 3.8 70.6 1.0 ND1 D:HIS183 4.0 53.8 1.0 CG D:HIS484 4.2 47.4 1.0 CD2 D:HIS238 4.4 93.5 1.0 CE1 D:HIS238 4.4 1.0 1.0 CG2 D:THR136 4.4 33.3 1.0 ND1 D:HIS484 4.5 49.6 1.0 CG D:HIS183 4.5 53.5 1.0 ND1 D:HIS304 4.5 72.6 1.0 CG D:HIS304 4.8 64.5 1.0

Iron binding site 5 out of 5 in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - GLU150GLN within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe501 b:0.4 occ:1.00 NE2 E:HIS484 3.1 0.6 1.0 NE2 E:HIS304 3.4 0.7 1.0 CD2 E:HIS484 3.5 0.9 1.0 CE1 E:HIS183 3.6 0.6 1.0 CE1 E:HIS238 3.6 0.4 1.0 NE2 E:HIS183 3.6 0.2 1.0 CE1 E:HIS304 3.7 1.0 1.0 CZ E:PHE69 4.0 0.4 1.0 NE2 E:HIS238 4.1 0.3 1.0 CG2 E:THR136 4.1 93.9 1.0 CE1 E:HIS484 4.4 0.1 1.0 CE2 E:PHE69 4.4 0.6 1.0 CD2 E:LEU483 4.4 99.7 1.0 CD2 E:HIS304 4.7 0.6 1.0 ND1 E:HIS238 4.8 0.7 1.0 CG E:HIS484 4.8 0.2 1.0 ND1 E:HIS183 4.9 0.3 1.0

X.Sui, J.Zhang, M.Golczak, K.Palczewski, P.D.Kiser. Key Residues For Catalytic Function and Metal Coordination in A Carotenoid Cleavage Dioxygenase. J.Biol.Chem. V. 291 19401 2016.
ISSN: ESSN 1083-351X
PubMed: 27453555
DOI: 10.1074/JBC.M116.744912