Iron in PDB 4fb1: Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days
Enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days
All present enzymatic activity of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 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 60 Days, PDB code: 4fb1
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 /
2.15
|
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 (%)
|
16.2 /
22.2
|
Other elements in 4fb1:
The structure of Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 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 60 Days
(pdb code 4fb1). 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 60 Days, PDB code: 4fb1:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 4fb1
Go back to
Iron Binding Sites List in 4fb1
Iron binding site 1 out
of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 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 60 Days within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe402
b:42.6
occ:1.00
|
FE
|
A:HEC402
|
0.0
|
42.6
|
1.0
|
ND
|
A:HEC402
|
2.1
|
44.2
|
1.0
|
NE2
|
A:HIS35
|
2.1
|
40.1
|
1.0
|
NB
|
A:HEC402
|
2.1
|
41.9
|
1.0
|
NA
|
A:HEC402
|
2.1
|
43.7
|
1.0
|
NC
|
A:HEC402
|
2.1
|
45.3
|
1.0
|
C1D
|
A:HEC402
|
3.0
|
40.2
|
1.0
|
C4D
|
A:HEC402
|
3.0
|
44.2
|
1.0
|
CE1
|
A:HIS35
|
3.0
|
44.3
|
1.0
|
C1B
|
A:HEC402
|
3.1
|
43.2
|
1.0
|
C4C
|
A:HEC402
|
3.1
|
44.1
|
1.0
|
C1A
|
A:HEC402
|
3.1
|
40.5
|
1.0
|
CD2
|
A:HIS35
|
3.1
|
41.1
|
1.0
|
C4A
|
A:HEC402
|
3.1
|
42.3
|
1.0
|
C4B
|
A:HEC402
|
3.1
|
43.6
|
1.0
|
C1C
|
A:HEC402
|
3.1
|
43.2
|
1.0
|
CHD
|
A:HEC402
|
3.3
|
44.5
|
1.0
|
CHB
|
A:HEC402
|
3.4
|
41.7
|
1.0
|
CHA
|
A:HEC402
|
3.4
|
41.9
|
1.0
|
CHC
|
A:HEC402
|
3.5
|
42.8
|
1.0
|
O
|
A:HOH509
|
3.5
|
39.6
|
1.0
|
NE2
|
A:GLN103
|
4.2
|
43.8
|
1.0
|
ND1
|
A:HIS35
|
4.2
|
42.4
|
1.0
|
CG
|
A:PRO107
|
4.2
|
51.1
|
1.0
|
CG
|
A:HIS35
|
4.2
|
42.1
|
1.0
|
C2D
|
A:HEC402
|
4.3
|
40.0
|
1.0
|
C3D
|
A:HEC402
|
4.3
|
43.8
|
1.0
|
C2B
|
A:HEC402
|
4.4
|
43.0
|
1.0
|
C2A
|
A:HEC402
|
4.4
|
41.2
|
1.0
|
C3A
|
A:HEC402
|
4.4
|
41.0
|
1.0
|
C3B
|
A:HEC402
|
4.4
|
40.2
|
1.0
|
C3C
|
A:HEC402
|
4.4
|
43.9
|
1.0
|
C2C
|
A:HEC402
|
4.4
|
43.5
|
1.0
|
CB
|
A:PRO107
|
4.9
|
52.3
|
1.0
|
|
Iron binding site 2 out
of 4 in 4fb1
Go back to
Iron Binding Sites List in 4fb1
Iron binding site 2 out
of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 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 60 Days within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe403
b:41.5
occ:1.00
|
FE
|
A:HEC403
|
0.0
|
41.5
|
1.0
|
OH
|
A:TYR294
|
1.9
|
37.5
|
1.0
|
ND
|
A:HEC403
|
2.0
|
39.0
|
1.0
|
NE2
|
A:HIS205
|
2.0
|
37.0
|
1.0
|
NB
|
A:HEC403
|
2.0
|
41.2
|
1.0
|
NC
|
A:HEC403
|
2.1
|
41.9
|
1.0
|
NA
|
A:HEC403
|
2.1
|
40.3
|
1.0
|
CZ
|
A:TYR294
|
2.8
|
39.2
|
1.0
|
C1B
|
A:HEC403
|
3.0
|
43.6
|
1.0
|
CD2
|
A:HIS205
|
3.0
|
36.0
|
1.0
|
C1D
|
A:HEC403
|
3.0
|
41.9
|
1.0
|
CE1
|
A:HIS205
|
3.0
|
34.8
|
1.0
|
C4D
|
A:HEC403
|
3.0
|
41.6
|
1.0
|
C4C
|
A:HEC403
|
3.0
|
40.1
|
1.0
|
C4A
|
A:HEC403
|
3.0
|
42.8
|
1.0
|
C4B
|
A:HEC403
|
3.1
|
42.1
|
1.0
|
C1C
|
A:HEC403
|
3.1
|
40.5
|
1.0
|
C1A
|
A:HEC403
|
3.1
|
38.1
|
1.0
|
CHB
|
A:HEC403
|
3.3
|
44.6
|
1.0
|
CHD
|
A:HEC403
|
3.4
|
38.0
|
1.0
|
CHA
|
A:HEC403
|
3.5
|
38.7
|
1.0
|
CHC
|
A:HEC403
|
3.5
|
41.6
|
1.0
|
CE1
|
A:TYR294
|
3.6
|
37.4
|
1.0
|
CE2
|
A:TYR294
|
3.6
|
39.5
|
1.0
|
ND1
|
A:HIS205
|
4.1
|
35.5
|
1.0
|
CG
|
A:HIS205
|
4.2
|
41.0
|
1.0
|
C3D
|
A:HEC403
|
4.3
|
42.0
|
1.0
|
C2B
|
A:HEC403
|
4.3
|
44.4
|
1.0
|
C2D
|
A:HEC403
|
4.3
|
42.3
|
1.0
|
C3C
|
A:HEC403
|
4.3
|
39.0
|
1.0
|
C3B
|
A:HEC403
|
4.3
|
43.1
|
1.0
|
C2C
|
A:HEC403
|
4.3
|
39.6
|
1.0
|
C3A
|
A:HEC403
|
4.4
|
43.6
|
1.0
|
C2A
|
A:HEC403
|
4.4
|
41.6
|
1.0
|
CD1
|
A:TYR294
|
4.8
|
38.9
|
1.0
|
CD2
|
A:TYR294
|
4.8
|
38.1
|
1.0
|
|
Iron binding site 3 out
of 4 in 4fb1
Go back to
Iron Binding Sites List in 4fb1
Iron binding site 3 out
of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 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 60 Days within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:34.1
occ:1.00
|
FE
|
B:HEC402
|
0.0
|
34.1
|
1.0
|
NE2
|
B:HIS35
|
2.0
|
30.3
|
1.0
|
NC
|
B:HEC402
|
2.0
|
37.5
|
1.0
|
NA
|
B:HEC402
|
2.1
|
38.1
|
1.0
|
NB
|
B:HEC402
|
2.1
|
36.6
|
1.0
|
ND
|
B:HEC402
|
2.1
|
36.7
|
1.0
|
O
|
B:HOH618
|
2.4
|
24.3
|
0.5
|
CE1
|
B:HIS35
|
3.0
|
33.5
|
1.0
|
C1C
|
B:HEC402
|
3.0
|
40.6
|
1.0
|
C4C
|
B:HEC402
|
3.0
|
39.8
|
1.0
|
CD2
|
B:HIS35
|
3.0
|
31.5
|
1.0
|
C1B
|
B:HEC402
|
3.1
|
35.2
|
1.0
|
C4A
|
B:HEC402
|
3.1
|
35.1
|
1.0
|
C1D
|
B:HEC402
|
3.1
|
35.1
|
1.0
|
C4B
|
B:HEC402
|
3.1
|
36.5
|
1.0
|
C1A
|
B:HEC402
|
3.1
|
34.3
|
1.0
|
C4D
|
B:HEC402
|
3.1
|
31.6
|
1.0
|
CHB
|
B:HEC402
|
3.4
|
31.6
|
1.0
|
CHD
|
B:HEC402
|
3.4
|
36.9
|
1.0
|
CHC
|
B:HEC402
|
3.4
|
36.9
|
1.0
|
CHA
|
B:HEC402
|
3.5
|
32.0
|
1.0
|
O
|
B:HOH618
|
3.8
|
23.4
|
0.5
|
NE2
|
B:GLN103
|
3.9
|
41.3
|
1.0
|
CG
|
B:PRO107
|
4.0
|
43.1
|
1.0
|
ND1
|
B:HIS35
|
4.1
|
29.4
|
1.0
|
CG
|
B:HIS35
|
4.2
|
31.6
|
1.0
|
C2C
|
B:HEC402
|
4.3
|
38.2
|
1.0
|
C3C
|
B:HEC402
|
4.3
|
39.4
|
1.0
|
C3A
|
B:HEC402
|
4.4
|
33.4
|
1.0
|
C2B
|
B:HEC402
|
4.4
|
35.3
|
1.0
|
C3B
|
B:HEC402
|
4.4
|
34.9
|
1.0
|
C2D
|
B:HEC402
|
4.4
|
33.3
|
1.0
|
C2A
|
B:HEC402
|
4.4
|
34.0
|
1.0
|
C3D
|
B:HEC402
|
4.4
|
31.8
|
1.0
|
CB
|
B:PRO107
|
4.8
|
42.7
|
1.0
|
CD
|
B:GLN103
|
5.0
|
37.5
|
1.0
|
|
Iron binding site 4 out
of 4 in 4fb1
Go back to
Iron Binding Sites List in 4fb1
Iron binding site 4 out
of 4 in the Crystal Structure of Wt Maug in Complex with Pre-Methylamine Dehydrogenase Aged 60 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 60 Days within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe403
b:28.9
occ:1.00
|
FE
|
B:HEC403
|
0.0
|
28.9
|
1.0
|
OH
|
B:TYR294
|
2.0
|
29.8
|
1.0
|
NE2
|
B:HIS205
|
2.0
|
33.4
|
1.0
|
ND
|
B:HEC403
|
2.0
|
25.7
|
1.0
|
NB
|
B:HEC403
|
2.0
|
24.1
|
1.0
|
NC
|
B:HEC403
|
2.0
|
23.8
|
1.0
|
NA
|
B:HEC403
|
2.1
|
25.0
|
1.0
|
CZ
|
B:TYR294
|
2.9
|
25.5
|
1.0
|
CE1
|
B:HIS205
|
3.0
|
29.3
|
1.0
|
C1D
|
B:HEC403
|
3.0
|
25.1
|
1.0
|
C1B
|
B:HEC403
|
3.0
|
28.0
|
1.0
|
CD2
|
B:HIS205
|
3.0
|
29.9
|
1.0
|
C4C
|
B:HEC403
|
3.0
|
29.1
|
1.0
|
C4D
|
B:HEC403
|
3.0
|
24.2
|
1.0
|
C4A
|
B:HEC403
|
3.0
|
24.3
|
1.0
|
C1A
|
B:HEC403
|
3.1
|
25.9
|
1.0
|
C1C
|
B:HEC403
|
3.1
|
22.6
|
1.0
|
C4B
|
B:HEC403
|
3.1
|
21.7
|
1.0
|
CHB
|
B:HEC403
|
3.3
|
23.8
|
1.0
|
CHD
|
B:HEC403
|
3.4
|
24.6
|
1.0
|
CHA
|
B:HEC403
|
3.4
|
22.3
|
1.0
|
CHC
|
B:HEC403
|
3.5
|
23.9
|
1.0
|
CE1
|
B:TYR294
|
3.6
|
26.3
|
1.0
|
CE2
|
B:TYR294
|
3.8
|
24.3
|
1.0
|
ND1
|
B:HIS205
|
4.1
|
26.2
|
1.0
|
CG
|
B:HIS205
|
4.1
|
29.1
|
1.0
|
C2D
|
B:HEC403
|
4.3
|
24.7
|
1.0
|
C2B
|
B:HEC403
|
4.3
|
27.7
|
1.0
|
C3D
|
B:HEC403
|
4.3
|
25.4
|
1.0
|
C3C
|
B:HEC403
|
4.3
|
24.5
|
1.0
|
C3B
|
B:HEC403
|
4.3
|
23.1
|
1.0
|
C2C
|
B:HEC403
|
4.3
|
26.9
|
1.0
|
C3A
|
B:HEC403
|
4.4
|
22.9
|
1.0
|
C2A
|
B:HEC403
|
4.4
|
25.0
|
1.0
|
CD1
|
B:TYR294
|
4.7
|
24.1
|
1.0
|
CD2
|
B:TYR294
|
4.9
|
25.2
|
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 02:10:29 2024
|