Iron in PDB 4umz: Pikc D50N Mutant in Complex with the Engineered Substrate Mimic Bearing A 2-Dimethylaminomethylbenzoate Group

The structure of Pikc D50N Mutant in Complex with the Engineered Substrate Mimic Bearing A 2-Dimethylaminomethylbenzoate Group, PDB code: 4umz was solved by L.M.Podust, D.F.Vieira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.63 / 2.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.061, 110.703, 151.626, 90.00, 90.00, 90.00
R / Rfree (%)	19.004 / 24.451

The binding sites of Iron atom in the Pikc D50N Mutant in Complex with the Engineered Substrate Mimic Bearing A 2-Dimethylaminomethylbenzoate Group (pdb code 4umz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Pikc D50N Mutant in Complex with the Engineered Substrate Mimic Bearing A 2-Dimethylaminomethylbenzoate Group, PDB code: 4umz:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Pikc D50N Mutant in Complex with the Engineered Substrate Mimic Bearing A 2-Dimethylaminomethylbenzoate Group


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Pikc D50N Mutant in Complex with the Engineered Substrate Mimic Bearing A 2-Dimethylaminomethylbenzoate Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1407 b:16.2 occ:1.00 FE A:HEM1407 0.0 16.2 1.0 ND A:HEM1407 1.9 15.2 1.0 NA A:HEM1407 2.0 15.0 1.0 NC A:HEM1407 2.1 15.1 1.0 NB A:HEM1407 2.1 16.3 1.0 SG A:CYS354 2.1 14.6 1.0 C1D A:HEM1407 2.9 14.7 1.0 C4A A:HEM1407 2.9 14.7 1.0 C4D A:HEM1407 3.0 15.1 1.0 C1A A:HEM1407 3.0 14.4 1.0 C4C A:HEM1407 3.0 16.0 1.0 C4B A:HEM1407 3.0 16.3 1.0 C1B A:HEM1407 3.0 15.2 1.0 C1C A:HEM1407 3.0 15.7 1.0 CHB A:HEM1407 3.3 14.7 1.0 CHD A:HEM1407 3.4 15.4 1.0 CHC A:HEM1407 3.4 15.3 1.0 CHA A:HEM1407 3.4 14.3 1.0 CB A:CYS354 3.5 14.9 1.0 O A:ALA243 4.0 41.1 1.0 C3A A:HEM1407 4.1 14.2 1.0 C2A A:HEM1407 4.2 13.7 1.0 C2D A:HEM1407 4.2 14.1 1.0 C3C A:HEM1407 4.2 16.6 1.0 CA A:CYS354 4.2 14.6 1.0 C3D A:HEM1407 4.2 13.8 1.0 C2C A:HEM1407 4.2 16.3 1.0 C2B A:HEM1407 4.2 15.7 1.0 C3B A:HEM1407 4.3 16.7 1.0 C6 A:XJO1408 4.5 59.3 1.0 C A:ALA243 4.7 39.4 1.0 N A:GLY356 4.7 17.9 1.0 CB A:ALA243 4.8 33.0 1.0 C A:CYS354 4.9 14.7 1.0 N A:ILE355 4.9 15.0 1.0

Iron binding site 2 out of 2 in the Pikc D50N Mutant in Complex with the Engineered Substrate Mimic Bearing A 2-Dimethylaminomethylbenzoate Group


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Pikc D50N Mutant in Complex with the Engineered Substrate Mimic Bearing A 2-Dimethylaminomethylbenzoate Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1407 b:18.4 occ:1.00 FE B:HEM1407 0.0 18.4 1.0 ND B:HEM1407 1.9 21.5 1.0 NA B:HEM1407 2.0 20.2 1.0 NC B:HEM1407 2.1 19.6 1.0 NB B:HEM1407 2.1 19.7 1.0 SG B:CYS354 2.2 15.4 1.0 C1D B:HEM1407 2.9 19.4 1.0 C4D B:HEM1407 2.9 19.8 1.0 C4A B:HEM1407 3.0 19.6 1.0 C1A B:HEM1407 3.0 20.0 1.0 C4C B:HEM1407 3.1 20.7 1.0 C4B B:HEM1407 3.1 21.1 1.0 C1B B:HEM1407 3.1 19.9 1.0 C1C B:HEM1407 3.1 21.3 1.0 CHD B:HEM1407 3.4 19.4 1.0 CHA B:HEM1407 3.4 20.4 1.0 CHB B:HEM1407 3.5 19.5 1.0 CHC B:HEM1407 3.5 21.2 1.0 CB B:CYS354 3.5 18.2 1.0 C6 B:XJO1408 3.8 61.4 1.0 CA B:CYS354 4.2 18.1 1.0 C3A B:HEM1407 4.2 21.1 1.0 C2D B:HEM1407 4.2 20.1 1.0 C3D B:HEM1407 4.2 19.6 1.0 C2A B:HEM1407 4.2 19.4 1.0 C3C B:HEM1407 4.2 22.7 1.0 C2C B:HEM1407 4.3 21.6 1.0 C2B B:HEM1407 4.3 20.6 1.0 C3B B:HEM1407 4.3 21.8 1.0 O B:ALA243 4.5 41.5 1.0 N B:GLY356 4.7 15.8 1.0 CB B:ALA243 4.8 37.9 1.0 C5 B:XJO1408 4.9 58.1 1.0 C B:ALA243 4.9 44.7 1.0 N B:ILE355 4.9 17.0 1.0 C B:CYS354 4.9 16.8 1.0

L.M.Podust, L.M.Podust, D.F.Vieira. N/A N/A.