Iron in PDB 4fa4: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 Days
Enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 Days
All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 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 10 Days, PDB code: 4fa4
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)
|
43.46 /
2.14
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
55.530,
83.520,
107.780,
109.92,
91.52,
105.78
|
R / Rfree (%)
|
16.3 /
22.7
|
Other elements in 4fa4:
The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 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 10 Days
(pdb code 4fa4). 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 10 Days, PDB code: 4fa4:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 4fa4
Go back to
Iron Binding Sites List in 4fa4
Iron binding site 1 out
of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 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 10 Days within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe402
b:35.0
occ:1.00
|
FE
|
A:HEC402
|
0.0
|
35.0
|
1.0
|
NE2
|
A:HIS35
|
1.9
|
33.5
|
1.0
|
NA
|
A:HEC402
|
2.1
|
38.1
|
1.0
|
NC
|
A:HEC402
|
2.1
|
36.7
|
1.0
|
ND
|
A:HEC402
|
2.1
|
37.4
|
1.0
|
NB
|
A:HEC402
|
2.1
|
35.2
|
1.0
|
O
|
A:HOH649
|
2.2
|
12.5
|
0.5
|
CE1
|
A:HIS35
|
2.9
|
33.3
|
1.0
|
CD2
|
A:HIS35
|
3.0
|
32.5
|
1.0
|
C1D
|
A:HEC402
|
3.1
|
37.2
|
1.0
|
C4A
|
A:HEC402
|
3.1
|
33.9
|
1.0
|
C4D
|
A:HEC402
|
3.1
|
37.1
|
1.0
|
C4C
|
A:HEC402
|
3.1
|
38.0
|
1.0
|
C1A
|
A:HEC402
|
3.1
|
37.5
|
1.0
|
C1B
|
A:HEC402
|
3.1
|
36.6
|
1.0
|
C1C
|
A:HEC402
|
3.1
|
36.0
|
1.0
|
C4B
|
A:HEC402
|
3.1
|
34.7
|
1.0
|
CHD
|
A:HEC402
|
3.4
|
37.8
|
1.0
|
CHB
|
A:HEC402
|
3.4
|
32.4
|
1.0
|
CHA
|
A:HEC402
|
3.4
|
38.6
|
1.0
|
CHC
|
A:HEC402
|
3.5
|
33.8
|
1.0
|
O
|
A:HOH649
|
4.0
|
12.2
|
0.5
|
ND1
|
A:HIS35
|
4.0
|
32.9
|
1.0
|
CG
|
A:HIS35
|
4.1
|
31.6
|
1.0
|
NE2
|
A:GLN103
|
4.2
|
36.7
|
1.0
|
C3D
|
A:HEC402
|
4.4
|
35.8
|
1.0
|
C3A
|
A:HEC402
|
4.4
|
33.2
|
1.0
|
C2D
|
A:HEC402
|
4.4
|
36.0
|
1.0
|
C2C
|
A:HEC402
|
4.4
|
36.8
|
1.0
|
C3C
|
A:HEC402
|
4.4
|
36.8
|
1.0
|
C2A
|
A:HEC402
|
4.4
|
37.2
|
1.0
|
C2B
|
A:HEC402
|
4.4
|
34.2
|
1.0
|
C3B
|
A:HEC402
|
4.4
|
32.4
|
1.0
|
CG
|
A:PRO107
|
4.4
|
38.2
|
1.0
|
CB
|
A:PRO107
|
4.8
|
38.5
|
1.0
|
CD2
|
A:LEU70
|
5.0
|
32.7
|
1.0
|
|
Iron binding site 2 out
of 4 in 4fa4
Go back to
Iron Binding Sites List in 4fa4
Iron binding site 2 out
of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 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 10 Days within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe403
b:31.8
occ:1.00
|
FE
|
A:HEC403
|
0.0
|
31.8
|
1.0
|
OH
|
A:TYR294
|
1.9
|
32.2
|
1.0
|
NE2
|
A:HIS205
|
2.0
|
27.8
|
1.0
|
NC
|
A:HEC403
|
2.1
|
30.7
|
1.0
|
NB
|
A:HEC403
|
2.1
|
31.1
|
1.0
|
ND
|
A:HEC403
|
2.1
|
29.8
|
1.0
|
NA
|
A:HEC403
|
2.1
|
30.3
|
1.0
|
CZ
|
A:TYR294
|
2.8
|
31.7
|
1.0
|
CE1
|
A:HIS205
|
3.0
|
26.9
|
1.0
|
C1D
|
A:HEC403
|
3.0
|
34.2
|
1.0
|
C4C
|
A:HEC403
|
3.0
|
32.0
|
1.0
|
C1B
|
A:HEC403
|
3.0
|
35.7
|
1.0
|
CD2
|
A:HIS205
|
3.0
|
24.8
|
1.0
|
C4D
|
A:HEC403
|
3.1
|
30.4
|
1.0
|
C4A
|
A:HEC403
|
3.1
|
32.5
|
1.0
|
C4B
|
A:HEC403
|
3.1
|
30.5
|
1.0
|
C1C
|
A:HEC403
|
3.1
|
27.3
|
1.0
|
C1A
|
A:HEC403
|
3.1
|
29.3
|
1.0
|
CHD
|
A:HEC403
|
3.3
|
29.0
|
1.0
|
CHB
|
A:HEC403
|
3.4
|
31.2
|
1.0
|
CHC
|
A:HEC403
|
3.5
|
30.0
|
1.0
|
CE1
|
A:TYR294
|
3.5
|
32.9
|
1.0
|
CHA
|
A:HEC403
|
3.5
|
27.1
|
1.0
|
CE2
|
A:TYR294
|
3.7
|
30.6
|
1.0
|
ND1
|
A:HIS205
|
4.1
|
29.9
|
1.0
|
CG
|
A:HIS205
|
4.2
|
29.3
|
1.0
|
C3D
|
A:HEC403
|
4.3
|
31.9
|
1.0
|
C2D
|
A:HEC403
|
4.3
|
29.9
|
1.0
|
C3C
|
A:HEC403
|
4.4
|
29.5
|
1.0
|
C2B
|
A:HEC403
|
4.4
|
33.8
|
1.0
|
C2C
|
A:HEC403
|
4.4
|
30.4
|
1.0
|
C3B
|
A:HEC403
|
4.4
|
33.9
|
1.0
|
C3A
|
A:HEC403
|
4.4
|
33.8
|
1.0
|
C2A
|
A:HEC403
|
4.4
|
34.2
|
1.0
|
CD1
|
A:TYR294
|
4.7
|
33.4
|
1.0
|
CD2
|
A:TYR294
|
4.9
|
32.4
|
1.0
|
|
Iron binding site 3 out
of 4 in 4fa4
Go back to
Iron Binding Sites List in 4fa4
Iron binding site 3 out
of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 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 10 Days within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:29.7
occ:1.00
|
FE
|
B:HEC402
|
0.0
|
29.7
|
1.0
|
NE2
|
B:HIS35
|
1.9
|
22.3
|
1.0
|
O
|
B:HOH599
|
2.0
|
12.4
|
0.5
|
NA
|
B:HEC402
|
2.1
|
28.9
|
1.0
|
NB
|
B:HEC402
|
2.1
|
29.6
|
1.0
|
NC
|
B:HEC402
|
2.1
|
27.7
|
1.0
|
ND
|
B:HEC402
|
2.1
|
28.3
|
1.0
|
CE1
|
B:HIS35
|
2.9
|
25.4
|
1.0
|
CD2
|
B:HIS35
|
3.0
|
26.8
|
1.0
|
C1B
|
B:HEC402
|
3.1
|
30.1
|
1.0
|
C4A
|
B:HEC402
|
3.1
|
28.5
|
1.0
|
C1D
|
B:HEC402
|
3.1
|
27.5
|
1.0
|
C4B
|
B:HEC402
|
3.1
|
29.4
|
1.0
|
C1C
|
B:HEC402
|
3.1
|
28.6
|
1.0
|
C4D
|
B:HEC402
|
3.1
|
25.9
|
1.0
|
C1A
|
B:HEC402
|
3.1
|
27.7
|
1.0
|
C4C
|
B:HEC402
|
3.1
|
31.1
|
1.0
|
CHB
|
B:HEC402
|
3.4
|
25.5
|
1.0
|
CHA
|
B:HEC402
|
3.4
|
25.2
|
1.0
|
CHD
|
B:HEC402
|
3.4
|
28.6
|
1.0
|
CHC
|
B:HEC402
|
3.5
|
28.1
|
1.0
|
O
|
B:HOH599
|
3.7
|
19.1
|
0.5
|
NE2
|
B:GLN103
|
3.9
|
27.6
|
1.0
|
ND1
|
B:HIS35
|
4.0
|
24.8
|
1.0
|
CG
|
B:HIS35
|
4.1
|
25.9
|
1.0
|
CG
|
B:PRO107
|
4.3
|
31.8
|
1.0
|
C2D
|
B:HEC402
|
4.3
|
26.6
|
1.0
|
C2B
|
B:HEC402
|
4.4
|
29.8
|
1.0
|
C3B
|
B:HEC402
|
4.4
|
29.6
|
1.0
|
C3A
|
B:HEC402
|
4.4
|
25.8
|
1.0
|
C3D
|
B:HEC402
|
4.4
|
25.6
|
1.0
|
C2C
|
B:HEC402
|
4.4
|
29.1
|
1.0
|
C2A
|
B:HEC402
|
4.4
|
26.5
|
1.0
|
C3C
|
B:HEC402
|
4.4
|
28.2
|
1.0
|
CB
|
B:PRO107
|
4.8
|
30.8
|
1.0
|
CD
|
B:GLN103
|
4.9
|
30.8
|
1.0
|
|
Iron binding site 4 out
of 4 in 4fa4
Go back to
Iron Binding Sites List in 4fa4
Iron binding site 4 out
of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 10 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 10 Days within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe403
b:23.4
occ:1.00
|
FE
|
B:HEC403
|
0.0
|
23.4
|
1.0
|
ND
|
B:HEC403
|
2.0
|
17.4
|
1.0
|
OH
|
B:TYR294
|
2.0
|
27.8
|
1.0
|
NC
|
B:HEC403
|
2.0
|
17.2
|
1.0
|
NA
|
B:HEC403
|
2.0
|
18.6
|
1.0
|
NB
|
B:HEC403
|
2.1
|
21.8
|
1.0
|
NE2
|
B:HIS205
|
2.1
|
25.3
|
1.0
|
CD2
|
B:HIS205
|
2.9
|
22.8
|
1.0
|
CZ
|
B:TYR294
|
2.9
|
26.4
|
1.0
|
C4D
|
B:HEC403
|
3.0
|
16.9
|
1.0
|
C1D
|
B:HEC403
|
3.0
|
18.2
|
1.0
|
C4A
|
B:HEC403
|
3.0
|
21.5
|
1.0
|
C4C
|
B:HEC403
|
3.0
|
24.2
|
1.0
|
C1C
|
B:HEC403
|
3.0
|
18.3
|
1.0
|
C1B
|
B:HEC403
|
3.1
|
25.6
|
1.0
|
C1A
|
B:HEC403
|
3.1
|
19.0
|
1.0
|
C4B
|
B:HEC403
|
3.1
|
18.4
|
1.0
|
CE1
|
B:HIS205
|
3.2
|
23.9
|
1.0
|
CHB
|
B:HEC403
|
3.4
|
23.1
|
1.0
|
CHD
|
B:HEC403
|
3.4
|
18.9
|
1.0
|
CHA
|
B:HEC403
|
3.4
|
18.1
|
1.0
|
CHC
|
B:HEC403
|
3.5
|
20.3
|
1.0
|
CE1
|
B:TYR294
|
3.6
|
25.6
|
1.0
|
CE2
|
B:TYR294
|
3.8
|
26.7
|
1.0
|
CG
|
B:HIS205
|
4.1
|
26.8
|
1.0
|
ND1
|
B:HIS205
|
4.2
|
28.8
|
1.0
|
C3D
|
B:HEC403
|
4.3
|
19.7
|
1.0
|
C2D
|
B:HEC403
|
4.3
|
16.2
|
1.0
|
C2C
|
B:HEC403
|
4.3
|
23.1
|
1.0
|
C3C
|
B:HEC403
|
4.3
|
23.8
|
1.0
|
C3B
|
B:HEC403
|
4.4
|
21.2
|
1.0
|
C3A
|
B:HEC403
|
4.4
|
18.5
|
1.0
|
C2B
|
B:HEC403
|
4.4
|
25.2
|
1.0
|
C2A
|
B:HEC403
|
4.4
|
22.1
|
1.0
|
CD1
|
B:TYR294
|
4.8
|
20.6
|
1.0
|
CD2
|
B:TYR294
|
5.0
|
22.6
|
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 02:07:27 2024
|