Iron in PDB 6jzy: Crystal Structure of Aar with Nadph and Stearyl in Complex with Ado Binding A Long Chain Carbohydrate

All present enzymatic activity of Crystal Structure of Aar with Nadph and Stearyl in Complex with Ado Binding A Long Chain Carbohydrate:
1.2.1.80; 4.1.99.5;

The structure of Crystal Structure of Aar with Nadph and Stearyl in Complex with Ado Binding A Long Chain Carbohydrate, PDB code: 6jzy was solved by H.M.Zhang, M.Li, Y.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.13 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.609, 71.248, 135.677, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.5

The binding sites of Iron atom in the Crystal Structure of Aar with Nadph and Stearyl in Complex with Ado Binding A Long Chain Carbohydrate (pdb code 6jzy). 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 Aar with Nadph and Stearyl in Complex with Ado Binding A Long Chain Carbohydrate, PDB code: 6jzy:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Aar with Nadph and Stearyl in Complex with Ado Binding A Long Chain Carbohydrate


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 Aar with Nadph and Stearyl in Complex with Ado Binding A Long Chain Carbohydrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:70.0 occ:1.00 OE2 B:GLU32 2.3 53.8 1.0 OE1 B:GLU32 2.4 70.0 1.0 OE2 B:GLU60 2.5 74.6 1.0 OE1 B:GLU144 2.6 71.3 1.0 ND1 B:HIS63 2.7 67.1 1.0 OE2 B:GLU144 2.7 57.1 1.0 CD B:GLU32 2.7 49.5 1.0 OE1 B:GLU60 2.9 66.5 1.0 O1 B:PL3301 2.9 55.9 1.0 CD B:GLU60 3.0 67.9 1.0 C1 B:PL3301 3.0 61.5 1.0 CD B:GLU144 3.0 70.2 1.0 FE B:FE2303 3.1 73.7 1.0 CE1 B:HIS63 3.5 71.1 1.0 CG B:HIS63 3.7 70.5 1.0 CB B:HIS63 4.0 69.4 1.0 CG B:GLU32 4.2 59.6 1.0 CG B:GLU60 4.3 71.3 1.0 CA B:GLU60 4.4 74.3 1.0 C2 B:PL3301 4.4 56.5 1.0 CG B:GLU144 4.5 71.3 1.0 CB B:GLU60 4.6 70.0 1.0 ND1 B:HIS147 4.6 71.4 1.0 NE2 B:HIS63 4.7 73.2 1.0 CE1 B:HIS147 4.7 73.1 1.0 CD2 B:HIS63 4.8 73.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Aar with Nadph and Stearyl in Complex with Ado Binding A Long Chain Carbohydrate


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 Aar with Nadph and Stearyl in Complex with Ado Binding A Long Chain Carbohydrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe303 b:73.7 occ:0.96 O1 B:PL3301 2.4 55.9 1.0 OE2 B:GLU144 2.4 57.1 1.0 OE1 B:GLU115 2.5 67.9 1.0 OE2 B:GLU115 2.5 67.3 1.0 OE1 B:GLU60 2.6 66.5 1.0 ND1 B:HIS147 2.8 71.4 1.0 CD B:GLU115 2.9 62.3 1.0 OE2 B:GLU60 2.9 74.6 1.0 CD B:GLU60 3.0 67.9 1.0 FE B:FE2302 3.1 70.0 1.0 CD B:GLU144 3.5 70.2 1.0 C1 B:PL3301 3.6 61.5 1.0 CE1 B:HIS147 3.6 73.1 1.0 CG B:HIS147 3.8 70.9 1.0 CB B:HIS147 4.0 69.6 1.0 OE1 B:GLU144 4.0 71.3 1.0 CE2 B:TYR39 4.3 71.1 1.0 CG B:GLU115 4.4 59.9 1.0 CG B:GLU60 4.4 71.3 1.0 CA B:GLU144 4.4 68.2 1.0 CB B:GLU144 4.5 68.5 1.0 OH B:TYR39 4.6 71.2 1.0 CG B:GLU144 4.6 71.3 1.0 NE2 B:GLN110 4.7 57.0 1.0 CB B:ALA35 4.7 67.2 1.0 C2 B:PL3301 4.8 56.5 1.0 NE2 B:HIS147 4.8 78.5 1.0 CD2 B:HIS147 4.9 71.0 1.0 OE1 B:GLU32 4.9 70.0 1.0 CZ B:TYR39 4.9 69.6 1.0

Y.Gao, H.Zhang, M.Fan, C.Jia, L.Shi, X.Pan, P.Cao, X.Zhao, W.Chang, M.Li. Structural Insights Into Catalytic Mechanism and Product Delivery of Cyanobacterial Acyl-Acyl Carrier Protein Reductase Nat Commun 2020.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-020-15268-Y