Iron in PDB 4kvs: Crystal Structure of Prochlorococcus Marinus Aldehyde-Deformylating Oxygenase (Mutant A134F)

All present enzymatic activity of Crystal Structure of Prochlorococcus Marinus Aldehyde-Deformylating Oxygenase (Mutant A134F):
4.1.99.5;

The structure of Crystal Structure of Prochlorococcus Marinus Aldehyde-Deformylating Oxygenase (Mutant A134F), PDB code: 4kvs was solved by C.W.Levy, B.Khara, N.Menon, D.Mansell, D.Das, E.N.G.Marsh, D.Leys, N.S.Scrutton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.49 / 1.67
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.060, 77.060, 115.860, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 18.5

The binding sites of Iron atom in the Crystal Structure of Prochlorococcus Marinus Aldehyde-Deformylating Oxygenase (Mutant A134F) (pdb code 4kvs). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Prochlorococcus Marinus Aldehyde-Deformylating Oxygenase (Mutant A134F), PDB code: 4kvs:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Prochlorococcus Marinus Aldehyde-Deformylating Oxygenase (Mutant A134F)


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 Prochlorococcus Marinus Aldehyde-Deformylating Oxygenase (Mutant A134F) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:18.2 occ:0.70 OE1 A:GLU73 1.9 28.5 1.0 OE2 A:GLU157 2.0 42.2 1.0 OE1 A:GLU45 2.0 25.7 1.0 O A:6NA301 2.1 32.2 1.0 ND1 A:HIS76 2.3 27.9 1.0 OE1 A:GLU157 2.6 37.7 1.0 CD A:GLU157 2.6 42.1 1.0 CD A:GLU45 2.9 25.9 1.0 CD A:GLU73 3.0 26.5 1.0 CE1 A:HIS76 3.1 29.6 1.0 OE2 A:GLU45 3.1 31.6 1.0 C A:6NA301 3.2 31.3 1.0 FE A:FE303 3.3 18.3 0.7 CG A:HIS76 3.5 25.8 1.0 OE2 A:GLU73 3.5 23.5 1.0 OXT A:6NA301 3.7 31.1 1.0 CB A:HIS76 3.9 21.4 1.0 CG A:GLU157 4.2 31.7 1.0 CG A:GLU73 4.3 20.9 1.0 NE2 A:HIS76 4.3 26.4 1.0 CG A:GLU45 4.3 22.4 1.0 CA A:GLU73 4.4 18.8 1.0 CA A:6NA301 4.4 26.7 1.0 CD2 A:HIS76 4.5 26.5 1.0 CE1 A:HIS160 4.5 30.2 1.0 OH A:TYR135 4.5 36.1 1.0 CB A:GLU73 4.5 18.0 1.0 ND1 A:HIS160 4.7 27.2 1.0 CB A:6NA301 4.7 25.8 1.0 CG1 A:VAL153 4.7 30.7 1.0 CB A:GLU45 4.8 18.1 1.0 CE2 A:TYR135 4.9 37.1 1.0 CA A:GLU45 4.9 18.2 1.0 OE1 A:GLU128 4.9 23.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Prochlorococcus Marinus Aldehyde-Deformylating Oxygenase (Mutant A134F)


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 Prochlorococcus Marinus Aldehyde-Deformylating Oxygenase (Mutant A134F) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:18.3 occ:0.68 OE2 A:GLU73 2.0 23.5 1.0 OE1 A:GLU157 2.1 37.7 1.0 OE2 A:GLU128 2.2 24.3 1.0 ND1 A:HIS160 2.3 27.2 1.0 OE1 A:GLU128 2.3 23.3 1.0 OXT A:6NA301 2.4 31.1 1.0 CD A:GLU128 2.6 22.9 1.0 CD A:GLU73 2.9 26.5 1.0 CE1 A:HIS160 3.1 30.2 1.0 OE1 A:GLU73 3.1 28.5 1.0 O A:6NA301 3.1 32.2 1.0 CD A:GLU157 3.2 42.1 1.0 C A:6NA301 3.2 31.3 1.0 FE A:FE302 3.3 18.2 0.7 CG A:HIS160 3.4 24.7 1.0 OE2 A:GLU157 3.8 42.2 1.0 CB A:HIS160 3.9 23.2 1.0 CG A:GLU128 4.1 21.6 1.0 NE2 A:HIS160 4.3 27.8 1.0 CG A:GLU157 4.3 31.7 1.0 CG A:GLU73 4.3 20.9 1.0 CB A:GLU157 4.3 34.5 1.0 CE2 A:TYR52 4.4 21.6 1.0 CA A:GLU157 4.4 28.8 1.0 NE2 A:GLN123 4.4 21.4 1.0 CD2 A:HIS160 4.5 26.8 1.0 OH A:TYR52 4.5 22.2 1.0 CB A:ALA48 4.6 21.3 1.0 CA A:6NA301 4.7 26.7 1.0 CE1 A:HIS76 4.9 29.6 1.0 ND1 A:HIS76 5.0 27.9 1.0 OE1 A:GLU45 5.0 25.7 1.0 CB A:GLU128 5.0 19.5 1.0 CZ A:TYR52 5.0 20.6 1.0

B.Khara, N.Menon, C.Levy, D.Mansell, D.Das, E.N.Marsh, D.Leys, N.S.Scrutton. Production of Propane and Other Short-Chain Alkanes By Structure-Based Engineering of Ligand Specificity in Aldehyde-Deformylating Oxygenase. Chembiochem V. 14 1204 2013.
ISSN: ISSN 1439-4227
PubMed: 23757044
DOI: 10.1002/CBIC.201300307