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Iron in PDB 4l3g: Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days

Enzymatic activity of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days

All present enzymatic activity of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days:
1.4.99.3;

Protein crystallography data

The structure of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days, PDB code: 4l3g was solved by E.T.Yukl, C.M.Wilmot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.62 / 2.05
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 55.530, 83.520, 107.780, 109.94, 91.54, 105.78
R / Rfree (%) 15.8 / 21

Other elements in 4l3g:

The structure of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Sodium (Na) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days (pdb code 4l3g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days, PDB code: 4l3g:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4l3g

Go back to Iron Binding Sites List in 4l3g
Iron binding site 1 out of 4 in the Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days


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 the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:34.8
occ:1.00
FE A:HEC402 0.0 34.8 1.0
NB A:HEC402 2.0 32.6 1.0
ND A:HEC402 2.1 33.4 1.0
NA A:HEC402 2.1 33.1 1.0
NC A:HEC402 2.1 36.4 1.0
NE2 A:HIS35 2.2 36.9 1.0
OD1 A:HYP107 2.9 44.8 1.0
C4B A:HEC402 3.0 35.0 1.0
C4D A:HEC402 3.0 33.3 1.0
C1A A:HEC402 3.0 30.7 1.0
C1B A:HEC402 3.0 33.7 1.0
C4A A:HEC402 3.1 34.6 1.0
C1C A:HEC402 3.1 36.2 1.0
C1D A:HEC402 3.1 34.1 1.0
C4C A:HEC402 3.1 36.9 1.0
CD2 A:HIS35 3.2 37.7 1.0
CE1 A:HIS35 3.2 37.7 1.0
O A:HOH657 3.2 38.4 0.5
CHA A:HEC402 3.4 32.1 1.0
CHC A:HEC402 3.4 34.9 1.0
CHD A:HEC402 3.4 37.4 1.0
CHB A:HEC402 3.4 31.5 1.0
NE2 A:GLN103 4.1 35.1 1.0
CG A:HYP107 4.1 42.6 1.0
C3D A:HEC402 4.3 32.8 1.0
ND1 A:HIS35 4.3 34.9 1.0
C3B A:HEC402 4.3 32.2 1.0
C2D A:HEC402 4.3 30.6 1.0
C2B A:HEC402 4.3 32.1 1.0
CG A:HIS35 4.3 35.0 1.0
C2C A:HEC402 4.4 37.7 1.0
C2A A:HEC402 4.4 34.3 1.0
C3A A:HEC402 4.4 34.9 1.0
C3C A:HEC402 4.4 39.1 1.0
CB A:HYP107 4.7 43.1 1.0

Iron binding site 2 out of 4 in 4l3g

Go back to Iron Binding Sites List in 4l3g
Iron binding site 2 out of 4 in the Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days


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 the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:32.8
occ:1.00
FE A:HEC403 0.0 32.8 1.0
OH A:TYR294 1.9 28.3 1.0
ND A:HEC403 2.0 31.1 1.0
NB A:HEC403 2.0 32.7 1.0
NA A:HEC403 2.1 32.5 1.0
NC A:HEC403 2.1 32.5 1.0
NE2 A:HIS205 2.1 30.3 1.0
CZ A:TYR294 2.8 29.8 1.0
C1B A:HEC403 3.0 32.0 1.0
C4B A:HEC403 3.0 31.3 1.0
C1D A:HEC403 3.0 32.8 1.0
C4D A:HEC403 3.0 32.6 1.0
C1C A:HEC403 3.0 31.2 1.0
C4A A:HEC403 3.1 33.1 1.0
C1A A:HEC403 3.1 33.0 1.0
C4C A:HEC403 3.1 32.2 1.0
CD2 A:HIS205 3.1 29.7 1.0
CE1 A:HIS205 3.1 29.2 1.0
CHB A:HEC403 3.4 32.0 1.0
CHC A:HEC403 3.4 30.7 1.0
CHD A:HEC403 3.4 30.7 1.0
CHA A:HEC403 3.4 31.2 1.0
CE2 A:TYR294 3.6 29.6 1.0
CE1 A:TYR294 3.7 29.1 1.0
ND1 A:HIS205 4.2 30.3 1.0
CG A:HIS205 4.2 28.8 1.0
C2B A:HEC403 4.3 34.1 1.0
C3B A:HEC403 4.3 34.2 1.0
C2D A:HEC403 4.3 32.1 1.0
C3D A:HEC403 4.3 31.0 1.0
C2C A:HEC403 4.3 32.5 1.0
C3A A:HEC403 4.4 34.0 1.0
C2A A:HEC403 4.4 32.0 1.0
C3C A:HEC403 4.4 34.0 1.0
CD2 A:TYR294 4.8 30.5 1.0
CD1 A:TYR294 4.9 30.6 1.0

Iron binding site 3 out of 4 in 4l3g

Go back to Iron Binding Sites List in 4l3g
Iron binding site 3 out of 4 in the Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:29.9
occ:1.00
FE B:HEC402 0.0 29.9 1.0
NA B:HEC402 2.0 32.0 1.0
ND B:HEC402 2.0 33.0 1.0
NC B:HEC402 2.1 33.7 1.0
NB B:HEC402 2.1 32.7 1.0
NE2 B:HIS35 2.2 28.9 1.0
OD1 B:HYP107 2.9 48.2 1.0
C1A B:HEC402 3.0 30.6 1.0
C4D B:HEC402 3.0 30.6 1.0
C1C B:HEC402 3.0 33.3 1.0
C1D B:HEC402 3.0 34.9 1.0
C4C B:HEC402 3.1 33.1 1.0
C4B B:HEC402 3.1 32.0 1.0
C4A B:HEC402 3.1 30.3 1.0
C1B B:HEC402 3.1 32.2 1.0
CE1 B:HIS35 3.1 30.4 1.0
CD2 B:HIS35 3.2 29.2 1.0
CHA B:HEC402 3.4 29.1 1.0
CHC B:HEC402 3.4 32.9 1.0
CHD B:HEC402 3.4 32.0 1.0
CHB B:HEC402 3.5 30.3 1.0
O B:HOH736 3.6 31.1 0.5
CG B:HYP107 4.2 39.2 1.0
NE2 B:GLN103 4.2 35.6 1.0
ND1 B:HIS35 4.3 30.7 1.0
C2C B:HEC402 4.3 33.3 1.0
C3D B:HEC402 4.3 32.9 1.0
CG B:HIS35 4.3 30.0 1.0
C2D B:HEC402 4.3 33.0 1.0
C3C B:HEC402 4.3 32.0 1.0
C2A B:HEC402 4.3 31.1 1.0
C3A B:HEC402 4.4 30.3 1.0
C3B B:HEC402 4.4 30.6 1.0
C2B B:HEC402 4.4 31.0 1.0
CB B:HYP107 4.8 37.8 1.0
CD2 B:LEU70 5.0 29.1 1.0

Iron binding site 4 out of 4 in 4l3g

Go back to Iron Binding Sites List in 4l3g
Iron binding site 4 out of 4 in the Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the E113Q-Maug/Pre-Methylamine Dehydrogenase Complex Aged 120 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe403

b:24.6
occ:1.00
FE B:HEC403 0.0 24.6 1.0
OH B:TYR294 1.8 22.0 1.0
NE2 B:HIS205 2.0 23.4 1.0
ND B:HEC403 2.0 25.7 1.0
NC B:HEC403 2.1 26.2 1.0
NB B:HEC403 2.1 27.2 1.0
NA B:HEC403 2.1 27.8 1.0
CZ B:TYR294 2.8 22.9 1.0
C1D B:HEC403 3.0 25.4 1.0
CE1 B:HIS205 3.0 21.0 1.0
C1B B:HEC403 3.0 26.2 1.0
C4A B:HEC403 3.0 26.9 1.0
C4C B:HEC403 3.0 25.3 1.0
C4D B:HEC403 3.1 24.3 1.0
CD2 B:HIS205 3.1 21.4 1.0
C4B B:HEC403 3.1 24.2 1.0
C1C B:HEC403 3.1 26.3 1.0
C1A B:HEC403 3.1 26.8 1.0
CHD B:HEC403 3.3 24.7 1.0
CHB B:HEC403 3.4 25.6 1.0
CHA B:HEC403 3.5 24.2 1.0
CHC B:HEC403 3.5 23.9 1.0
CE2 B:TYR294 3.6 24.4 1.0
CE1 B:TYR294 3.7 23.1 1.0
ND1 B:HIS205 4.1 21.8 1.0
CG B:HIS205 4.2 21.8 1.0
C2D B:HEC403 4.3 25.2 1.0
C2B B:HEC403 4.3 26.1 1.0
C3D B:HEC403 4.3 23.6 1.0
C3B B:HEC403 4.3 24.6 1.0
C3A B:HEC403 4.3 28.2 1.0
C2A B:HEC403 4.4 25.2 1.0
C3C B:HEC403 4.4 24.9 1.0
C2C B:HEC403 4.4 25.8 1.0
CD2 B:TYR294 4.8 24.0 1.0
CD1 B:TYR294 4.9 25.4 1.0

Reference:

N.Abu Tarboush, E.T.Yukl, S.Shin, M.Feng, C.M.Wilmot, V.L.Davidson. Carboxyl Group of GLU113 Is Required For Stabilization of the Diferrous and Bis-Fe(IV) States of Maug. Biochemistry V. 52 6358 2013.
ISSN: ISSN 0006-2960
PubMed: 23952537
DOI: 10.1021/BI400905S
Page generated: Mon Aug 5 06:04:23 2024

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