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Iron in PDB 4fa5: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days

Enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 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 20 Days, PDB code: 4fa5 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 / 1.94
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 (%) 15.2 / 20.4

Other elements in 4fa5:

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Sodium (Na) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days (pdb code 4fa5). 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 20 Days, PDB code: 4fa5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4fa5

Go back to Iron Binding Sites List in 4fa5
Iron binding site 1 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 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 20 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:32.1
occ:1.00
FE A:HEC402 0.0 32.1 1.0
NB A:HEC402 2.1 30.4 1.0
ND A:HEC402 2.1 31.6 1.0
NA A:HEC402 2.1 32.7 1.0
NC A:HEC402 2.1 30.0 1.0
NE2 A:HIS35 2.1 27.0 1.0
O A:HOH661 2.2 7.2 0.5
C1D A:HEC402 3.0 32.2 1.0
C4D A:HEC402 3.0 30.4 1.0
C1B A:HEC402 3.1 31.5 1.0
C4B A:HEC402 3.1 28.3 1.0
C1A A:HEC402 3.1 31.2 1.0
CD2 A:HIS35 3.1 28.6 1.0
C4A A:HEC402 3.1 29.9 1.0
C1C A:HEC402 3.1 29.8 1.0
CE1 A:HIS35 3.1 29.4 1.0
C4C A:HEC402 3.1 32.9 1.0
CHD A:HEC402 3.4 31.3 1.0
CHA A:HEC402 3.4 32.2 1.0
CHB A:HEC402 3.4 28.3 1.0
CHC A:HEC402 3.4 27.1 1.0
O A:HOH661 3.6 14.6 0.5
NE2 A:GLN103 4.2 28.8 1.0
ND1 A:HIS35 4.2 31.6 1.0
CG A:HIS35 4.2 30.0 1.0
CG A:PRO107 4.2 35.2 1.0
C2D A:HEC402 4.3 31.8 1.0
C3D A:HEC402 4.3 31.3 1.0
C2B A:HEC402 4.4 30.3 1.0
C3B A:HEC402 4.4 28.4 1.0
C2A A:HEC402 4.4 30.6 1.0
C3A A:HEC402 4.4 28.9 1.0
C2C A:HEC402 4.4 29.3 1.0
C3C A:HEC402 4.4 31.0 1.0
CB A:PRO107 4.9 35.0 1.0

Iron binding site 2 out of 4 in 4fa5

Go back to Iron Binding Sites List in 4fa5
Iron binding site 2 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 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 20 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:30.8
occ:1.00
FE A:HEC403 0.0 30.8 1.0
OH A:TYR294 2.0 27.6 1.0
ND A:HEC403 2.0 29.1 1.0
NB A:HEC403 2.0 30.0 1.0
NE2 A:HIS205 2.1 24.3 1.0
NC A:HEC403 2.1 30.7 1.0
NA A:HEC403 2.1 29.6 1.0
CZ A:TYR294 2.9 30.1 1.0
C1B A:HEC403 3.0 29.9 1.0
C4D A:HEC403 3.0 30.1 1.0
C1D A:HEC403 3.0 29.9 1.0
CE1 A:HIS205 3.0 25.8 1.0
C4B A:HEC403 3.0 29.0 1.0
CD2 A:HIS205 3.1 25.2 1.0
C4C A:HEC403 3.1 28.1 1.0
C4A A:HEC403 3.1 30.3 1.0
C1C A:HEC403 3.1 25.0 1.0
C1A A:HEC403 3.1 29.1 1.0
CHD A:HEC403 3.4 27.0 1.0
CHB A:HEC403 3.4 28.5 1.0
CHA A:HEC403 3.4 29.6 1.0
CHC A:HEC403 3.5 27.2 1.0
CE1 A:TYR294 3.6 30.2 1.0
CE2 A:TYR294 3.7 35.0 1.0
ND1 A:HIS205 4.2 26.1 1.0
CG A:HIS205 4.2 28.4 1.0
C3D A:HEC403 4.3 30.1 1.0
C2D A:HEC403 4.3 26.6 1.0
C2B A:HEC403 4.3 31.2 1.0
C3B A:HEC403 4.3 30.9 1.0
C2C A:HEC403 4.4 28.1 1.0
C3C A:HEC403 4.4 26.8 1.0
C3A A:HEC403 4.4 28.6 1.0
C2A A:HEC403 4.4 30.6 1.0
CD1 A:TYR294 4.8 31.8 1.0
CD1 A:ILE226 4.8 32.9 1.0
CD2 A:TYR294 4.9 30.6 1.0

Iron binding site 3 out of 4 in 4fa5

Go back to Iron Binding Sites List in 4fa5
Iron binding site 3 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 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 20 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:25.1
occ:1.00
FE B:HEC402 0.0 25.1 1.0
NE2 B:HIS35 2.0 22.0 1.0
NC B:HEC402 2.0 27.5 1.0
NA B:HEC402 2.1 27.0 1.0
NB B:HEC402 2.1 23.9 1.0
ND B:HEC402 2.1 25.8 1.0
O B:HOH645 2.1 15.9 0.5
CD2 B:HIS35 3.0 22.4 1.0
C1C B:HEC402 3.0 27.8 1.0
C1D B:HEC402 3.0 25.0 1.0
CE1 B:HIS35 3.0 21.7 1.0
C4C B:HEC402 3.1 28.1 1.0
C4A B:HEC402 3.1 24.5 1.0
C1B B:HEC402 3.1 26.3 1.0
C4B B:HEC402 3.1 27.3 1.0
C4D B:HEC402 3.1 22.9 1.0
C1A B:HEC402 3.1 23.6 1.0
CHB B:HEC402 3.4 22.0 1.0
CHC B:HEC402 3.4 25.4 1.0
CHD B:HEC402 3.4 26.0 1.0
CHA B:HEC402 3.5 21.0 1.0
O B:HOH645 3.8 12.1 0.5
NE2 B:GLN103 4.0 24.1 1.0
ND1 B:HIS35 4.1 23.6 1.0
CG B:HIS35 4.1 23.7 1.0
C2C B:HEC402 4.3 26.1 1.0
C3C B:HEC402 4.3 27.2 1.0
C3A B:HEC402 4.3 21.2 1.0
C2D B:HEC402 4.3 21.6 1.0
C3D B:HEC402 4.4 23.1 1.0
C2A B:HEC402 4.4 22.9 1.0
C2B B:HEC402 4.4 24.6 1.0
CG B:PRO107 4.4 30.1 1.0
C3B B:HEC402 4.4 22.5 1.0
CB B:PRO107 4.8 29.6 1.0
CG2 B:THR67 4.9 21.3 1.0

Iron binding site 4 out of 4 in 4fa5

Go back to Iron Binding Sites List in 4fa5
Iron binding site 4 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 20 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 20 Days within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe403

b:21.7
occ:1.00
FE B:HEC403 0.0 21.7 1.0
OH B:TYR294 2.0 17.8 1.0
ND B:HEC403 2.0 19.4 1.0
NC B:HEC403 2.0 19.0 1.0
NA B:HEC403 2.0 22.7 1.0
NB B:HEC403 2.0 21.7 1.0
NE2 B:HIS205 2.1 19.5 1.0
CZ B:TYR294 2.9 20.1 1.0
CD2 B:HIS205 3.0 17.5 1.0
C4D B:HEC403 3.0 19.4 1.0
C1D B:HEC403 3.0 20.7 1.0
C1B B:HEC403 3.0 18.9 1.0
C4A B:HEC403 3.0 20.5 1.0
C4C B:HEC403 3.0 21.8 1.0
C1C B:HEC403 3.0 17.0 1.0
C4B B:HEC403 3.1 15.0 1.0
C1A B:HEC403 3.1 22.9 1.0
CE1 B:HIS205 3.2 19.5 1.0
CHB B:HEC403 3.3 19.9 1.0
CHA B:HEC403 3.4 17.5 1.0
CHD B:HEC403 3.4 18.0 1.0
CHC B:HEC403 3.5 13.2 1.0
CE1 B:TYR294 3.5 22.1 1.0
CE2 B:TYR294 3.8 20.5 1.0
CG B:HIS205 4.2 20.4 1.0
ND1 B:HIS205 4.2 19.6 1.0
C3D B:HEC403 4.3 18.2 1.0
C2D B:HEC403 4.3 18.4 1.0
C2B B:HEC403 4.3 23.0 1.0
C2C B:HEC403 4.3 20.4 1.0
C3B B:HEC403 4.3 20.1 1.0
C3C B:HEC403 4.3 19.1 1.0
C3A B:HEC403 4.3 19.7 1.0
C2A B:HEC403 4.4 20.8 1.0
CD1 B:TYR294 4.8 20.7 1.0
CD2 B:TYR294 5.0 19.6 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: Sun Dec 13 15:33:46 2020

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