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

Protein crystallography data

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

Iron Binding Sites:

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 4umz

Go back to Iron Binding Sites List in 4umz
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 4umz

Go back to Iron Binding Sites List in 4umz
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

Reference:

L.M.Podust, L.M.Podust, D.F.Vieira. N/A N/A.
Page generated: Mon Aug 5 13:28:48 2024

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