Iron in PDB 4rc8: Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase Bound with Fatty Acid

All present enzymatic activity of Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase Bound with Fatty Acid:
4.1.99.5;

The structure of Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase Bound with Fatty Acid, PDB code: 4rc8 was solved by C.J.Jia, M.Li, W.R.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.70 / 1.71
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.628, 61.984, 124.781, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.2

The binding sites of Iron atom in the Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase Bound with Fatty Acid (pdb code 4rc8). 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 Cyanobacterial Aldehyde-Deformylating Oxygenase Bound with Fatty Acid, PDB code: 4rc8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase Bound with Fatty Acid


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 Cyanobacterial Aldehyde-Deformylating Oxygenase Bound with Fatty Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:8.9 occ:1.00 O A:HOH405 1.9 12.8 1.0 OE2 A:GLU60 2.0 11.1 1.0 OE2 A:GLU115 2.1 8.0 1.0 ND1 A:HIS147 2.3 10.8 1.0 O1 A:STE301 2.3 24.0 1.0 OE1 A:GLU115 2.4 9.5 1.0 CD A:GLU115 2.6 7.9 1.0 CD A:GLU60 3.0 10.9 1.0 CE1 A:HIS147 3.0 11.6 1.0 C1 A:STE301 3.2 25.6 1.0 FE A:FE303 3.3 8.7 1.0 OE1 A:GLU60 3.3 11.5 1.0 O2 A:STE301 3.4 25.5 1.0 CG A:HIS147 3.4 8.9 1.0 CB A:HIS147 3.8 8.1 1.0 CG A:GLU115 4.1 6.3 1.0 NE2 A:GLN110 4.1 7.7 1.0 CE2 A:TYR39 4.2 7.5 1.0 NE2 A:HIS147 4.2 10.8 1.0 O A:HOH420 4.3 16.4 1.0 CG A:GLU60 4.4 10.3 1.0 CG A:GLU144 4.4 12.9 1.0 CD2 A:HIS147 4.4 10.4 1.0 OH A:TYR39 4.5 8.4 1.0 C2 A:STE301 4.6 25.6 1.0 CA A:GLU144 4.7 9.9 1.0 CE1 A:HIS63 4.7 9.6 1.0 CB A:ALA35 4.8 7.7 1.0 ND1 A:HIS63 4.8 8.9 1.0 CZ A:TYR39 4.8 8.8 1.0 CB A:GLU144 5.0 10.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase Bound with Fatty Acid


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 Cyanobacterial Aldehyde-Deformylating Oxygenase Bound with Fatty Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe303 b:8.7 occ:1.00 O A:HOH405 1.8 12.8 1.0 O A:HOH420 1.9 16.4 1.0 OE1 A:GLU60 2.0 11.5 1.0 OE1 A:GLU32 2.1 11.9 1.0 O2 A:STE301 2.1 25.5 1.0 ND1 A:HIS63 2.2 8.9 1.0 CD A:GLU32 3.0 12.2 1.0 CE1 A:HIS63 3.0 9.6 1.0 CD A:GLU60 3.0 10.9 1.0 C1 A:STE301 3.1 25.6 1.0 OE2 A:GLU32 3.3 14.7 1.0 FE A:FE302 3.3 8.9 1.0 CG A:HIS63 3.4 9.7 1.0 OE2 A:GLU60 3.4 11.1 1.0 O1 A:STE301 3.5 24.0 1.0 CB A:HIS63 3.8 10.3 1.0 NE2 A:HIS63 4.2 11.3 1.0 OE2 A:GLU144 4.3 19.1 1.0 CG A:GLU60 4.4 10.3 1.0 CG1 A:VAL140 4.4 11.6 1.0 CG A:GLU32 4.4 10.7 1.0 CD2 A:HIS63 4.4 11.2 1.0 CA A:GLU60 4.5 11.1 1.0 C2 A:STE301 4.5 25.6 1.0 CE1 A:HIS147 4.5 11.6 1.0 CG A:GLU144 4.5 12.9 1.0 ND1 A:HIS147 4.6 10.8 1.0 CB A:GLU60 4.6 10.7 1.0 C3 A:STE301 4.7 26.9 1.0 CB A:GLU32 4.8 8.7 1.0 CA A:GLU32 4.9 8.3 1.0 CD A:GLU144 4.9 17.3 1.0 OE1 A:GLU115 4.9 9.5 1.0

C.Jia, M.Li, J.Li, J.Zhang, H.Zhang, P.Cao, X.Pan, X.Lu, W.Chang. Structural Insights Into the Catalytic Mechanism of Aldehyde-Deformylating Oxygenases Protein Cell 2014.
ISSN: ESSN 1674-8018
PubMed: 25482408
DOI: 10.1007/S13238-014-0108-2