Iron in PDB 5kk0: Synechocystis Aco Mutant - T136A

All present enzymatic activity of Synechocystis Aco Mutant - T136A:
1.13.11.75;

The structure of Synechocystis Aco Mutant - T136A, PDB code: 5kk0 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)	48.61 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.760, 124.961, 203.911, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 26.4

The structure of Synechocystis Aco Mutant - T136A also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Synechocystis Aco Mutant - T136A (pdb code 5kk0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Synechocystis Aco Mutant - T136A, PDB code: 5kk0:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Synechocystis Aco Mutant - T136A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Synechocystis Aco Mutant - T136A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:54.0 occ:0.90 NE2 A:HIS304 2.3 51.3 1.0 NE2 A:HIS183 2.3 45.0 1.0 NE2 A:HIS484 2.4 41.8 1.0 NE2 A:HIS238 2.5 76.5 1.0 O A:HOH611 2.8 50.2 1.0 CE1 A:HIS183 2.9 45.9 1.0 CD2 A:HIS484 3.0 39.6 1.0 CE1 A:HIS304 3.2 52.7 1.0 CD2 A:HIS304 3.3 49.9 1.0 CD2 A:HIS238 3.4 72.4 1.0 CE1 A:HIS238 3.5 79.0 1.0 CE1 A:HIS484 3.5 41.8 1.0 CD2 A:HIS183 3.6 45.0 1.0 ND1 A:HIS183 4.1 45.3 1.0 CG A:HIS484 4.3 39.0 1.0 ND1 A:HIS304 4.3 49.9 1.0 CG A:HIS304 4.4 47.9 1.0 ND1 A:HIS484 4.5 39.6 1.0 CG A:HIS183 4.5 44.2 1.0 CG A:HIS238 4.6 68.2 1.0 ND1 A:HIS238 4.6 76.9 1.0

Iron binding site 2 out of 4 in the Synechocystis Aco Mutant - T136A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Synechocystis Aco Mutant - T136A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:48.5 occ:0.90 NE2 B:HIS238 2.3 56.3 1.0 NE2 B:HIS183 2.5 44.5 1.0 NE2 B:HIS304 2.6 39.3 1.0 NE2 B:HIS484 2.6 35.8 1.0 O B:HOH613 3.0 37.9 1.0 CD2 B:HIS484 3.1 34.4 1.0 CE1 B:HIS238 3.2 61.3 1.0 CE1 B:HIS183 3.2 42.7 1.0 CD2 B:HIS238 3.4 52.7 1.0 CE1 B:HIS304 3.4 42.0 1.0 CD2 B:HIS183 3.7 42.6 1.0 CD2 B:HIS304 3.7 40.9 1.0 CE1 B:HIS484 3.9 35.7 1.0 ND1 B:HIS238 4.4 61.4 1.0 CG B:HIS484 4.5 35.0 1.0 ND1 B:HIS183 4.5 41.8 1.0 CG B:HIS238 4.5 54.4 1.0 ND1 B:HIS304 4.6 39.6 1.0 CG B:HIS183 4.7 41.5 1.0 ND1 B:HIS484 4.8 35.6 1.0 CG B:HIS304 4.8 40.2 1.0

Iron binding site 3 out of 4 in the Synechocystis Aco Mutant - T136A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Synechocystis Aco Mutant - T136A within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:58.0 occ:0.90 NE2 C:HIS183 2.4 49.0 1.0 NE2 C:HIS484 2.5 40.4 1.0 NE2 C:HIS304 2.5 61.8 1.0 NE2 C:HIS238 2.5 76.2 1.0 O C:HOH610 2.8 41.4 1.0 CD2 C:HIS484 3.1 41.1 1.0 CE1 C:HIS183 3.1 49.7 1.0 CE1 C:HIS304 3.3 63.4 1.0 CE1 C:HIS238 3.5 76.1 1.0 CD2 C:HIS238 3.5 72.7 1.0 CD2 C:HIS304 3.5 59.3 1.0 CE1 C:HIS484 3.6 41.1 1.0 CD2 C:HIS183 3.6 49.5 1.0 CG C:HIS484 4.3 41.7 1.0 ND1 C:HIS183 4.3 50.0 1.0 ND1 C:HIS304 4.5 61.2 1.0 ND1 C:HIS484 4.5 40.7 1.0 ND1 C:HIS238 4.6 73.4 1.0 CG C:HIS183 4.6 47.2 1.0 CG C:HIS304 4.6 56.7 1.0 CG C:HIS238 4.6 67.5 1.0

Iron binding site 4 out of 4 in the Synechocystis Aco Mutant - T136A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Synechocystis Aco Mutant - T136A within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe502 b:55.8 occ:0.90 NE2 D:HIS183 2.4 57.6 1.0 NE2 D:HIS238 2.5 64.3 1.0 NE2 D:HIS484 2.5 51.3 1.0 NE2 D:HIS304 2.6 57.9 1.0 CD2 D:HIS484 3.0 48.0 1.0 CE1 D:HIS183 3.1 56.2 1.0 O D:HOH609 3.3 36.6 1.0 CE1 D:HIS238 3.4 63.3 1.0 CE1 D:HIS304 3.5 60.7 1.0 CD2 D:HIS238 3.5 62.0 1.0 CD2 D:HIS304 3.6 60.2 1.0 CD2 D:HIS183 3.6 55.4 1.0 CE1 D:HIS484 3.7 49.9 1.0 CG D:HIS484 4.3 47.5 1.0 ND1 D:HIS183 4.3 54.5 1.0 ND1 D:HIS238 4.5 61.8 1.0 ND1 D:HIS484 4.6 47.1 1.0 CG D:HIS238 4.6 59.5 1.0 CG D:HIS183 4.6 54.3 1.0 ND1 D:HIS304 4.6 58.1 1.0 CG D:HIS304 4.8 56.5 1.0

X.Sui, M.Golczak, J.Zhang, K.A.Kleinberg, J.Von Lintig, K.Palczewski, P.D.Kiser. Utilization of Dioxygen By Carotenoid Cleavage Oxygenases. J.Biol.Chem. V. 290 30212 2015.
ISSN: ESSN 1083-351X
PubMed: 26499794
DOI: 10.1074/JBC.M115.696799