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:
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: Mon Aug 5 02:07:33 2024
|