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Iron in PDB 4fa1: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 Days.

Enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 Days.

All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 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 130 Days., PDB code: 4fa1 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) 37.17 / 2.18
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 (%) 15.7 / 22.7

Other elements in 4fa1:

The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 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 130 Days. (pdb code 4fa1). 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 130 Days., PDB code: 4fa1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4fa1

Go back to Iron Binding Sites List in 4fa1
Iron binding site 1 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 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 130 Days. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:35.4
occ:1.00
 FE A:HEC402 0.0 35.4 1.0
ND A:HEC402 2.1 37.1 1.0
NC A:HEC402 2.1 38.3 1.0
NE2 A:HIS35 2.1 33.8 1.0
NB A:HEC402 2.1 37.9 1.0
NA A:HEC402 2.1 39.5 1.0
O A:HOH638 2.5 11.5 0.5
CD2 A:HIS35 3.0 33.0 1.0
C4D A:HEC402 3.1 38.9 1.0
C1D A:HEC402 3.1 37.7 1.0
C1C A:HEC402 3.1 37.6 1.0
CE1 A:HIS35 3.1 34.3 1.0
C1B A:HEC402 3.1 37.0 1.0
C4C A:HEC402 3.1 37.5 1.0
C1A A:HEC402 3.1 36.7 1.0
C4B A:HEC402 3.1 35.9 1.0
C4A A:HEC402 3.1 35.5 1.0
CHA A:HEC402 3.4 37.9 1.0
CHD A:HEC402 3.4 38.6 1.0
CHC A:HEC402 3.4 35.5 1.0
CHB A:HEC402 3.5 32.6 1.0
O A:HOH638 4.0 2.8 0.5
NE2 A:GLN103 4.1 40.2 1.0
ND1 A:HIS35 4.2 34.0 1.0
CG A:HIS35 4.2 33.7 1.0
CG A:PRO107 4.3 41.4 1.0
C3D A:HEC402 4.3 37.0 1.0
C2D A:HEC402 4.4 36.9 1.0
C2B A:HEC402 4.4 36.2 1.0
C2C A:HEC402 4.4 36.8 1.0
C3C A:HEC402 4.4 38.3 1.0
C3B A:HEC402 4.4 34.0 1.0
C2A A:HEC402 4.4 36.1 1.0
C3A A:HEC402 4.4 35.3 1.0
CB A:PRO107 4.8 42.0 1.0

Iron binding site 2 out of 4 in 4fa1

Go back to Iron Binding Sites List in 4fa1
Iron binding site 2 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 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 130 Days. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:34.6
occ:1.00
 FE A:HEC403 0.0 34.6 1.0
OH A:TYR294 1.9 31.2 1.0
NB A:HEC403 2.0 34.2 1.0
NC A:HEC403 2.1 35.4 1.0
ND A:HEC403 2.1 34.7 1.0
NA A:HEC403 2.1 32.7 1.0
NE2 A:HIS205 2.1 35.5 1.0
CZ A:TYR294 2.8 33.9 1.0
C1B A:HEC403 3.0 36.1 1.0
CD2 A:HIS205 3.0 30.5 1.0
C4A A:HEC403 3.0 33.3 1.0
C1D A:HEC403 3.1 35.2 1.0
C4C A:HEC403 3.1 36.7 1.0
C4B A:HEC403 3.1 34.2 1.0
C1C A:HEC403 3.1 34.2 1.0
C4D A:HEC403 3.1 32.4 1.0
C1A A:HEC403 3.1 30.4 1.0
CE1 A:HIS205 3.2 34.6 1.0
CHB A:HEC403 3.3 34.0 1.0
CHD A:HEC403 3.4 34.5 1.0
CHC A:HEC403 3.4 32.2 1.0
CHA A:HEC403 3.5 32.7 1.0
CE1 A:TYR294 3.5 34.2 1.0
CE2 A:TYR294 3.7 33.4 1.0
CG A:HIS205 4.2 35.5 1.0
ND1 A:HIS205 4.2 32.8 1.0
C2B A:HEC403 4.3 36.7 1.0
C3B A:HEC403 4.3 34.9 1.0
C3A A:HEC403 4.4 32.3 1.0
C2C A:HEC403 4.4 34.8 1.0
C3C A:HEC403 4.4 36.7 1.0
C2D A:HEC403 4.4 33.5 1.0
C3D A:HEC403 4.4 33.8 1.0
C2A A:HEC403 4.4 34.3 1.0
CD1 A:TYR294 4.8 35.0 1.0
CD2 A:TYR294 4.9 33.2 1.0

Iron binding site 3 out of 4 in 4fa1

Go back to Iron Binding Sites List in 4fa1
Iron binding site 3 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 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 130 Days. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:31.9
occ:1.00
 FE B:HEC402 0.0 31.9 1.0
NC B:HEC402 2.0 32.6 1.0
NA B:HEC402 2.1 31.4 1.0
NE2 B:HIS35 2.1 26.0 1.0
NB B:HEC402 2.1 32.0 1.0
ND B:HEC402 2.1 31.4 1.0
O B:HOH723 2.1 8.6 0.5
CD2 B:HIS35 3.0 32.0 1.0
C1C B:HEC402 3.0 33.3 1.0
C4A B:HEC402 3.0 29.6 1.0
C4C B:HEC402 3.1 34.4 1.0
C1B B:HEC402 3.1 31.8 1.0
C1D B:HEC402 3.1 32.2 1.0
C1A B:HEC402 3.1 29.7 1.0
C4B B:HEC402 3.1 30.9 1.0
CE1 B:HIS35 3.1 28.6 1.0
C4D B:HEC402 3.1 29.8 1.0
CHB B:HEC402 3.4 26.4 1.0
CHD B:HEC402 3.4 33.2 1.0
CHC B:HEC402 3.4 31.8 1.0
CHA B:HEC402 3.5 30.8 1.0
O B:HOH723 3.9 14.5 0.5
NE2 B:GLN103 3.9 35.9 1.0
CG B:HIS35 4.2 29.0 1.0
CG B:PRO107 4.2 34.3 1.0
ND1 B:HIS35 4.2 25.5 1.0
C2C B:HEC402 4.3 32.2 1.0
C3C B:HEC402 4.4 33.9 1.0
C3A B:HEC402 4.4 27.3 1.0
C2D B:HEC402 4.4 32.6 1.0
C2B B:HEC402 4.4 30.4 1.0
C2A B:HEC402 4.4 26.6 1.0
C3B B:HEC402 4.4 27.8 1.0
C3D B:HEC402 4.4 30.3 1.0
CB B:PRO107 4.7 34.0 1.0
CD B:GLN103 4.9 35.3 1.0

Iron binding site 4 out of 4 in 4fa1

Go back to Iron Binding Sites List in 4fa1
Iron binding site 4 out of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 130 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 130 Days. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe403

b:24.5
occ:1.00
 FE B:HEC403 0.0 24.5 1.0
NC B:HEC403 2.0 21.0 1.0
OH B:TYR294 2.0 25.6 1.0
NE2 B:HIS205 2.0 29.2 1.0
ND B:HEC403 2.0 19.0 1.0
NB B:HEC403 2.0 22.9 1.0
NA B:HEC403 2.1 22.4 1.0
CZ B:TYR294 2.9 22.6 1.0
CD2 B:HIS205 3.0 24.4 1.0
C4C B:HEC403 3.0 25.8 1.0
C1D B:HEC403 3.0 24.0 1.0
C4D B:HEC403 3.0 17.9 1.0
C1B B:HEC403 3.0 22.9 1.0
CE1 B:HIS205 3.1 24.7 1.0
C1C B:HEC403 3.1 20.0 1.0
C4B B:HEC403 3.1 20.5 1.0
C4A B:HEC403 3.1 20.3 1.0
C1A B:HEC403 3.1 19.1 1.0
CHD B:HEC403 3.4 18.7 1.0
CHB B:HEC403 3.4 21.4 1.0
CHA B:HEC403 3.4 18.9 1.0
CHC B:HEC403 3.5 19.3 1.0
CE1 B:TYR294 3.5 23.9 1.0
CE2 B:TYR294 3.7 21.1 1.0
CG B:HIS205 4.1 27.3 1.0
ND1 B:HIS205 4.1 24.9 1.0
C3D B:HEC403 4.3 19.6 1.0
C2D B:HEC403 4.3 21.6 1.0
C3C B:HEC403 4.3 23.3 1.0
C3B B:HEC403 4.3 20.2 1.0
C2B B:HEC403 4.4 25.6 1.0
C2C B:HEC403 4.4 22.0 1.0
C3A B:HEC403 4.4 15.9 1.0
C2A B:HEC403 4.4 19.0 1.0
CD1 B:TYR294 4.7 21.8 1.0
CD2 B:TYR294 4.9 23.9 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 02:06:48 2024

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