Iron in PDB 4rc5: Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase

All present enzymatic activity of Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase:
4.1.99.5;

The structure of Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase, PDB code: 4rc5 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)	43.94 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.656, 61.833, 124.926, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 23.8

The binding sites of Iron atom in the Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase (pdb code 4rc5). 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, PDB code: 4rc5:
Jump to Iron binding site number: 1; 2;

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:30.4 occ:1.00 OE1 A:GLU60 2.0 24.8 1.0 OE1 A:GLU32 2.0 26.2 1.0 ND1 A:HIS63 2.4 23.3 1.0 OE2 A:GLU32 2.4 25.1 1.0 CD A:GLU32 2.5 24.7 1.0 C1 A:PL31001 3.0 26.6 1.0 O1 A:PL31001 3.0 24.0 1.0 CE1 A:HIS63 3.0 23.4 1.0 FE A:FE21003 3.1 27.4 1.0 CD A:GLU60 3.1 23.9 1.0 CG A:HIS63 3.5 24.2 1.0 OE2 A:GLU60 3.6 25.8 1.0 OE2 A:GLU144 3.6 30.4 1.0 CB A:HIS63 4.0 23.4 1.0 CG A:GLU32 4.0 24.4 1.0 NE2 A:HIS63 4.3 26.6 1.0 CG A:GLU144 4.4 24.2 1.0 CG A:GLU60 4.4 23.2 1.0 CE1 A:HIS147 4.5 21.9 1.0 CD A:GLU144 4.5 27.3 1.0 C2 A:PL31001 4.5 26.9 1.0 CD2 A:HIS63 4.5 25.5 1.0 CA A:GLU60 4.5 24.4 1.0 CB A:GLU60 4.7 24.5 1.0 ND1 A:HIS147 4.7 21.9 1.0 CA A:GLU32 4.7 23.3 1.0 CB A:GLU32 4.7 23.3 1.0 OE2 A:GLU115 4.9 27.5 1.0 C3 A:PL31001 5.0 26.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cyanobacterial Aldehyde-Deformylating Oxygenase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1003 b:27.4 occ:1.00 OE2 A:GLU115 2.0 27.5 1.0 OE2 A:GLU60 2.1 25.8 1.0 O1 A:PL31001 2.3 24.0 1.0 ND1 A:HIS147 2.3 21.9 1.0 CD A:GLU115 2.7 22.8 1.0 OE1 A:GLU115 2.7 23.1 1.0 CD A:GLU60 2.9 23.9 1.0 OE1 A:GLU60 3.0 24.8 1.0 CE1 A:HIS147 3.0 21.9 1.0 FE A:FE21002 3.1 30.4 1.0 C1 A:PL31001 3.4 26.6 1.0 CG A:HIS147 3.5 21.3 1.0 CB A:HIS147 4.0 20.3 1.0 CG A:GLU115 4.2 21.7 1.0 NE2 A:HIS147 4.2 21.7 1.0 CG A:GLU60 4.3 23.2 1.0 NE2 A:GLN110 4.3 18.1 1.0 CE2 A:TYR39 4.3 17.2 1.0 CG A:GLU144 4.3 24.2 1.0 CD2 A:HIS147 4.5 21.9 1.0 OE2 A:GLU144 4.5 30.4 1.0 OH A:TYR39 4.6 17.0 1.0 C2 A:PL31001 4.7 26.9 1.0 OE1 A:GLU32 4.7 26.2 1.0 CA A:GLU144 4.7 21.5 1.0 CE1 A:HIS63 4.7 23.4 1.0 ND1 A:HIS63 4.8 23.3 1.0 CB A:ALA35 4.8 18.9 1.0 CB A:GLU144 4.8 22.8 1.0 CD A:GLU144 4.9 27.3 1.0 CZ A:TYR39 5.0 17.8 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