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Iron in PDB 4fav: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days

Enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days:
1.4.9.1; 1.4.99.3;

Protein crystallography data

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days, PDB code: 4fav 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) 44.49 / 2.08
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 (%) 16.3 / 22.4

Other elements in 4fav:

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days also contains other interesting chemical elements:

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

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days (pdb code 4fav). 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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days, PDB code: 4fav:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4fav

Go back to Iron Binding Sites List in 4fav
Iron binding site 1 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:43.0
occ:1.00
FE A:HEC402 0.0 43.0 1.0
NE2 A:HIS35 2.0 44.5 1.0
NC A:HEC402 2.1 44.8 1.0
NB A:HEC402 2.1 40.4 1.0
ND A:HEC402 2.1 44.6 1.0
NA A:HEC402 2.1 45.2 1.0
CE1 A:HIS35 3.0 44.1 1.0
CD2 A:HIS35 3.0 43.4 1.0
C4D A:HEC402 3.0 45.2 1.0
C1B A:HEC402 3.1 41.1 1.0
C1D A:HEC402 3.1 43.9 1.0
C1C A:HEC402 3.1 45.4 1.0
C4A A:HEC402 3.1 40.0 1.0
C4B A:HEC402 3.1 42.6 1.0
C4C A:HEC402 3.1 48.6 1.0
C1A A:HEC402 3.1 41.3 1.0
CHD A:HEC402 3.4 45.4 1.0
CHB A:HEC402 3.4 38.6 1.0
CHA A:HEC402 3.4 39.8 1.0
CHC A:HEC402 3.4 40.7 1.0
O A:HOH538 3.5 27.9 1.0
ND1 A:HIS35 4.1 41.3 1.0
NE2 A:GLN103 4.1 39.7 1.0
CG A:HIS35 4.2 40.5 1.0
CG A:PRO107 4.2 49.6 1.0
C3D A:HEC402 4.3 44.4 1.0
C2D A:HEC402 4.3 43.6 1.0
C2B A:HEC402 4.4 42.8 1.0
C3B A:HEC402 4.4 40.6 1.0
C2C A:HEC402 4.4 46.3 1.0
C3A A:HEC402 4.4 40.4 1.0
C3C A:HEC402 4.4 45.2 1.0
C2A A:HEC402 4.4 42.0 1.0
CB A:PRO107 4.8 50.1 1.0
CD2 A:LEU70 5.0 37.9 1.0

Iron binding site 2 out of 4 in 4fav

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Iron binding site 2 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:41.4
occ:1.00
FE A:HEC403 0.0 41.4 1.0
OH A:TYR294 1.9 43.7 1.0
NB A:HEC403 2.0 38.5 1.0
ND A:HEC403 2.1 40.3 1.0
NA A:HEC403 2.1 39.9 1.0
NE2 A:HIS205 2.1 37.4 1.0
NC A:HEC403 2.1 41.5 1.0
CZ A:TYR294 2.8 44.1 1.0
C1B A:HEC403 3.0 42.9 1.0
CD2 A:HIS205 3.0 36.7 1.0
C4A A:HEC403 3.0 40.4 1.0
C1D A:HEC403 3.0 39.9 1.0
C1A A:HEC403 3.1 39.2 1.0
C4B A:HEC403 3.1 41.8 1.0
CE1 A:HIS205 3.1 31.4 1.0
C4D A:HEC403 3.1 41.9 1.0
C4C A:HEC403 3.1 39.1 1.0
C1C A:HEC403 3.1 39.8 1.0
CHB A:HEC403 3.3 38.6 1.0
CHD A:HEC403 3.4 38.8 1.0
CHA A:HEC403 3.4 39.5 1.0
CE1 A:TYR294 3.5 41.7 1.0
CHC A:HEC403 3.5 39.7 1.0
CE2 A:TYR294 3.7 42.8 1.0
ND1 A:HIS205 4.2 35.6 1.0
CG A:HIS205 4.2 38.5 1.0
C2B A:HEC403 4.3 43.6 1.0
C3B A:HEC403 4.3 41.2 1.0
C3D A:HEC403 4.3 43.1 1.0
C2D A:HEC403 4.3 41.0 1.0
C2A A:HEC403 4.4 40.3 1.0
C3A A:HEC403 4.4 40.2 1.0
C2C A:HEC403 4.4 40.6 1.0
C3C A:HEC403 4.4 40.0 1.0
CD1 A:TYR294 4.7 41.9 1.0
CD2 A:TYR294 4.9 42.7 1.0

Iron binding site 3 out of 4 in 4fav

Go back to Iron Binding Sites List in 4fav
Iron binding site 3 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:30.3
occ:1.00
FE B:HEC402 0.0 30.3 1.0
NE2 B:HIS35 2.0 30.0 1.0
NC B:HEC402 2.1 32.5 1.0
NA B:HEC402 2.1 35.6 1.0
NB B:HEC402 2.1 33.5 1.0
ND B:HEC402 2.1 32.2 1.0
O B:HOH652 2.1 19.6 0.5
CE1 B:HIS35 3.0 30.5 1.0
C1B B:HEC402 3.0 34.8 1.0
C4C B:HEC402 3.0 34.1 1.0
CD2 B:HIS35 3.0 29.0 1.0
C4A B:HEC402 3.0 31.4 1.0
C4B B:HEC402 3.0 35.3 1.0
C1C B:HEC402 3.1 33.6 1.0
C1D B:HEC402 3.1 32.5 1.0
C1A B:HEC402 3.1 30.9 1.0
C4D B:HEC402 3.1 27.1 1.0
CHB B:HEC402 3.4 31.9 1.0
CHD B:HEC402 3.4 32.3 1.0
CHC B:HEC402 3.4 31.8 1.0
CHA B:HEC402 3.5 26.7 1.0
O B:HOH652 3.8 16.4 0.5
NE2 B:GLN103 4.0 37.4 1.0
CG B:PRO107 4.1 37.4 1.0
ND1 B:HIS35 4.1 26.1 1.0
CG B:HIS35 4.2 27.4 1.0
C2B B:HEC402 4.3 36.5 1.0
C3C B:HEC402 4.3 32.6 1.0
C3A B:HEC402 4.3 32.9 1.0
C2C B:HEC402 4.4 33.6 1.0
C3B B:HEC402 4.4 34.8 1.0
C2A B:HEC402 4.4 29.8 1.0
C2D B:HEC402 4.4 30.3 1.0
C3D B:HEC402 4.4 30.1 1.0
CB B:PRO107 4.8 38.9 1.0
CG2 B:THR67 4.8 30.9 1.0
CD2 B:LEU70 4.9 34.4 1.0
CD B:GLN103 5.0 36.9 1.0

Iron binding site 4 out of 4 in 4fav

Go back to Iron Binding Sites List in 4fav
Iron binding site 4 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe403

b:25.2
occ:1.00
FE B:HEC403 0.0 25.2 1.0
ND B:HEC403 2.0 22.0 1.0
NC B:HEC403 2.0 19.9 1.0
OH B:TYR294 2.0 24.1 1.0
NB B:HEC403 2.0 24.1 1.0
NA B:HEC403 2.0 23.6 1.0
NE2 B:HIS205 2.1 23.8 1.0
CZ B:TYR294 2.9 24.3 1.0
C1D B:HEC403 2.9 21.4 1.0
C4D B:HEC403 3.0 17.6 1.0
CD2 B:HIS205 3.0 25.3 1.0
C1B B:HEC403 3.0 24.2 1.0
C1C B:HEC403 3.0 20.3 1.0
C4C B:HEC403 3.0 24.4 1.0
C1A B:HEC403 3.0 21.1 1.0
C4A B:HEC403 3.0 20.9 1.0
C4B B:HEC403 3.1 18.4 1.0
CE1 B:HIS205 3.2 27.0 1.0
CHB B:HEC403 3.3 20.8 1.0
CHA B:HEC403 3.3 16.4 1.0
CHD B:HEC403 3.4 17.2 1.0
CE1 B:TYR294 3.4 22.5 1.0
CHC B:HEC403 3.5 20.5 1.0
CE2 B:TYR294 3.7 23.1 1.0
CG B:HIS205 4.2 25.7 1.0
C2D B:HEC403 4.2 17.6 1.0
ND1 B:HIS205 4.2 23.1 1.0
C3D B:HEC403 4.2 19.1 1.0
C2C B:HEC403 4.3 22.9 1.0
C2B B:HEC403 4.3 24.9 1.0
C3B B:HEC403 4.3 21.7 1.0
C3C B:HEC403 4.3 20.2 1.0
C3A B:HEC403 4.3 22.1 1.0
C2A B:HEC403 4.3 20.5 1.0
CD1 B:TYR294 4.7 22.6 1.0
CD2 B:TYR294 4.9 24.8 1.0

Reference:

E.T.Yukl, F.Liu, J.Krzystek, S.Shin, L.M.Jensen, V.L.Davidson, C.M.Wilmot, A.Liu. Diradical Intermediate Within the Context of Tryptophan Tryptophylquinone Biosynthesis. Proc.Natl.Acad.Sci.Usa V. 110 4569 2013.
ISSN: ISSN 0027-8424
PubMed: 23487750
DOI: 10.1073/PNAS.1215011110
Page generated: Tue Aug 5 10:19:34 2025

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