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Iron in PDB 4fa9: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 30 Days

Enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 30 Days

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 30 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 30 Days, PDB code: 4fa9 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 / 2.09
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 55.530, 83.540, 107.780, 109.94, 91.54, 105.78
R / Rfree (%) 15.7 / 21.4

Other elements in 4fa9:

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 30 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 Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 30 Days (pdb code 4fa9). 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 30 Days, PDB code: 4fa9:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4fa9

Go back to Iron Binding Sites List in 4fa9
Iron binding site 1 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 30 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 30 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:36.3
occ:1.00
FE A:HEC402 0.0 36.3 1.0
NE2 A:HIS35 2.0 37.7 1.0
NA A:HEC402 2.1 34.9 1.0
NC A:HEC402 2.1 36.0 1.0
NB A:HEC402 2.1 33.2 1.0
ND A:HEC402 2.1 34.4 1.0
O A:HOH591 2.4 15.8 0.5
CD2 A:HIS35 3.0 35.9 1.0
CE1 A:HIS35 3.0 37.9 1.0
C4D A:HEC402 3.0 35.4 1.0
C1C A:HEC402 3.0 36.3 1.0
C1A A:HEC402 3.1 35.1 1.0
C1D A:HEC402 3.1 32.8 1.0
C4A A:HEC402 3.1 34.5 1.0
C4B A:HEC402 3.1 37.6 1.0
C4C A:HEC402 3.1 35.8 1.0
C1B A:HEC402 3.1 35.7 1.0
CHA A:HEC402 3.4 36.8 1.0
CHD A:HEC402 3.4 33.0 1.0
CHC A:HEC402 3.4 35.4 1.0
CHB A:HEC402 3.5 32.5 1.0
O A:HOH591 3.8 9.9 0.5
NE2 A:GLN103 4.1 38.7 1.0
ND1 A:HIS35 4.1 37.1 1.0
CG A:HIS35 4.2 35.5 1.0
CG A:PRO107 4.3 39.1 1.0
C3D A:HEC402 4.3 34.7 1.0
C2D A:HEC402 4.4 30.8 1.0
C2C A:HEC402 4.4 34.8 1.0
C2A A:HEC402 4.4 34.9 1.0
C3B A:HEC402 4.4 35.6 1.0
C3C A:HEC402 4.4 34.5 1.0
C3A A:HEC402 4.4 33.4 1.0
C2B A:HEC402 4.4 35.1 1.0
CB A:PRO107 4.7 39.5 1.0
CD2 A:LEU70 5.0 32.1 1.0

Iron binding site 2 out of 4 in 4fa9

Go back to Iron Binding Sites List in 4fa9
Iron binding site 2 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 30 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 30 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:34.2
occ:1.00
FE A:HEC403 0.0 34.2 1.0
OH A:TYR294 1.9 31.3 1.0
ND A:HEC403 2.0 31.5 1.0
NB A:HEC403 2.0 33.7 1.0
NA A:HEC403 2.1 33.9 1.0
NC A:HEC403 2.1 33.4 1.0
NE2 A:HIS205 2.1 30.8 1.0
CZ A:TYR294 2.9 33.5 1.0
C1B A:HEC403 3.0 35.6 1.0
CD2 A:HIS205 3.0 29.1 1.0
C1D A:HEC403 3.0 36.1 1.0
C4D A:HEC403 3.0 32.3 1.0
C4A A:HEC403 3.0 35.5 1.0
C1A A:HEC403 3.1 30.2 1.0
C4B A:HEC403 3.1 30.6 1.0
C4C A:HEC403 3.1 31.5 1.0
C1C A:HEC403 3.1 31.5 1.0
CE1 A:HIS205 3.1 28.0 1.0
CHB A:HEC403 3.3 35.1 1.0
CHD A:HEC403 3.4 28.1 1.0
CHA A:HEC403 3.4 30.6 1.0
CHC A:HEC403 3.5 32.1 1.0
CE1 A:TYR294 3.6 30.2 1.0
CE2 A:TYR294 3.7 32.4 1.0
CG A:HIS205 4.2 33.5 1.0
ND1 A:HIS205 4.2 29.3 1.0
C2B A:HEC403 4.3 34.8 1.0
C3D A:HEC403 4.3 32.8 1.0
C3B A:HEC403 4.3 32.6 1.0
C2D A:HEC403 4.3 29.9 1.0
C2A A:HEC403 4.3 33.9 1.0
C3A A:HEC403 4.4 34.3 1.0
C3C A:HEC403 4.4 30.6 1.0
C2C A:HEC403 4.4 34.0 1.0
CD1 A:TYR294 4.8 33.1 1.0
CD2 A:TYR294 4.9 30.3 1.0

Iron binding site 3 out of 4 in 4fa9

Go back to Iron Binding Sites List in 4fa9
Iron binding site 3 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 30 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 30 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:32.1
occ:1.00
FE B:HEC402 0.0 32.1 1.0
NE2 B:HIS35 1.9 25.9 1.0
NA B:HEC402 2.1 30.9 1.0
NB B:HEC402 2.1 32.6 1.0
NC B:HEC402 2.1 33.3 1.0
ND B:HEC402 2.1 31.9 1.0
O B:HOH550 2.9 38.6 1.0
CE1 B:HIS35 2.9 28.5 1.0
CD2 B:HIS35 3.0 28.8 1.0
C4A B:HEC402 3.0 29.0 1.0
C1D B:HEC402 3.1 30.4 1.0
C1C B:HEC402 3.1 32.5 1.0
C1B B:HEC402 3.1 29.8 1.0
C4C B:HEC402 3.1 34.5 1.0
C1A B:HEC402 3.1 30.3 1.0
C4D B:HEC402 3.1 27.6 1.0
C4B B:HEC402 3.1 30.0 1.0
CHB B:HEC402 3.4 28.0 1.0
CHD B:HEC402 3.4 33.6 1.0
CHC B:HEC402 3.4 29.0 1.0
CHA B:HEC402 3.4 31.2 1.0
NE2 B:GLN103 4.0 34.2 1.0
ND1 B:HIS35 4.0 28.4 1.0
CG B:HIS35 4.1 25.9 1.0
C3A B:HEC402 4.3 27.3 1.0
C2D B:HEC402 4.4 32.3 1.0
C2C B:HEC402 4.4 32.9 1.0
C2A B:HEC402 4.4 28.8 1.0
C3C B:HEC402 4.4 32.5 1.0
CG B:PRO107 4.4 33.1 1.0
C3D B:HEC402 4.4 32.1 1.0
C2B B:HEC402 4.4 28.8 1.0
C3B B:HEC402 4.4 27.3 1.0
CB B:PRO107 4.8 32.6 1.0

Iron binding site 4 out of 4 in 4fa9

Go back to Iron Binding Sites List in 4fa9
Iron binding site 4 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 30 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 30 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe403

b:26.4
occ:1.00
FE B:HEC403 0.0 26.4 1.0
OH B:TYR294 2.0 27.2 1.0
ND B:HEC403 2.0 25.4 1.0
NC B:HEC403 2.0 23.2 1.0
NB B:HEC403 2.1 24.8 1.0
NA B:HEC403 2.1 26.3 1.0
NE2 B:HIS205 2.1 22.4 1.0
CZ B:TYR294 3.0 25.4 1.0
C1D B:HEC403 3.0 23.9 1.0
C4C B:HEC403 3.0 24.8 1.0
CD2 B:HIS205 3.0 19.9 1.0
C4D B:HEC403 3.0 22.9 1.0
C1B B:HEC403 3.0 27.9 1.0
C1C B:HEC403 3.1 24.9 1.0
C4A B:HEC403 3.1 24.5 1.0
C1A B:HEC403 3.1 25.0 1.0
CE1 B:HIS205 3.1 23.5 1.0
C4B B:HEC403 3.1 20.2 1.0
CHD B:HEC403 3.3 23.5 1.0
CHB B:HEC403 3.4 24.9 1.0
CHA B:HEC403 3.4 21.2 1.0
CHC B:HEC403 3.5 24.0 1.0
CE1 B:TYR294 3.6 26.3 1.0
CE2 B:TYR294 3.8 27.6 1.0
CG B:HIS205 4.2 26.4 1.0
ND1 B:HIS205 4.2 23.1 1.0
C2D B:HEC403 4.3 22.7 1.0
C3D B:HEC403 4.3 25.0 1.0
C3C B:HEC403 4.3 22.7 1.0
C2C B:HEC403 4.3 26.4 1.0
C2B B:HEC403 4.4 29.6 1.0
C3A B:HEC403 4.4 19.6 1.0
C3B B:HEC403 4.4 26.0 1.0
C2A B:HEC403 4.4 25.5 1.0
CD1 B:TYR294 4.8 24.6 1.0
CD1 B:ILE226 4.9 22.0 1.0
CD2 B:TYR294 4.9 25.8 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: Mon Aug 5 02:07:56 2024

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