Magnesium in PDB 7ehe: Acetolactate Synthase From Trichoderma Harzianum
Enzymatic activity of Acetolactate Synthase From Trichoderma Harzianum
All present enzymatic activity of Acetolactate Synthase From Trichoderma Harzianum:
2.2.1.6;
Protein crystallography data
The structure of Acetolactate Synthase From Trichoderma Harzianum, PDB code: 7ehe
was solved by
X.Zang,
Y.Tang,
J.Zhou,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.26 /
2.28
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
79.1,
88.53,
188.13,
90,
90,
90
|
R / Rfree (%)
|
19.6 /
23
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Acetolactate Synthase From Trichoderma Harzianum
(pdb code 7ehe). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the
Acetolactate Synthase From Trichoderma Harzianum, PDB code: 7ehe:
Jump to Magnesium binding site number:
1;
2;
Magnesium binding site 1 out
of 2 in 7ehe
Go back to
Magnesium Binding Sites List in 7ehe
Magnesium binding site 1 out
of 2 in the Acetolactate Synthase From Trichoderma Harzianum
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Acetolactate Synthase From Trichoderma Harzianum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg701
b:18.8
occ:1.00
|
OD1
|
A:ASP551
|
2.2
|
35.7
|
1.0
|
O22
|
A:TZD703
|
2.2
|
30.4
|
1.0
|
O12
|
A:TZD703
|
2.2
|
31.1
|
1.0
|
OD1
|
A:ASN578
|
2.2
|
37.7
|
1.0
|
O
|
A:HOH810
|
2.2
|
32.8
|
1.0
|
O
|
A:GLU580
|
2.3
|
38.6
|
1.0
|
CG
|
A:ASN578
|
3.1
|
36.5
|
1.0
|
ND2
|
A:ASN578
|
3.4
|
34.8
|
1.0
|
CG
|
A:ASP551
|
3.4
|
37.7
|
1.0
|
P1
|
A:TZD703
|
3.4
|
29.5
|
1.0
|
P2
|
A:TZD703
|
3.4
|
32.9
|
1.0
|
C
|
A:GLU580
|
3.6
|
37.3
|
1.0
|
O11
|
A:TZD703
|
3.6
|
28.4
|
1.0
|
N
|
A:ASP551
|
3.8
|
31.1
|
1.0
|
OD2
|
A:ASP551
|
4.0
|
38.6
|
1.0
|
N
|
A:GLY582
|
4.0
|
35.6
|
1.0
|
N
|
A:GLU580
|
4.1
|
34.6
|
1.0
|
O5G
|
A:TZD703
|
4.2
|
33.6
|
1.0
|
O21
|
A:TZD703
|
4.2
|
33.7
|
1.0
|
O
|
A:LEU576
|
4.3
|
41.5
|
1.0
|
N
|
A:ALA552
|
4.3
|
32.6
|
1.0
|
CA
|
A:GLU580
|
4.5
|
35.5
|
1.0
|
CG
|
A:GLU580
|
4.5
|
37.4
|
1.0
|
N
|
A:GLN581
|
4.5
|
38.1
|
1.0
|
CA
|
A:GLY550
|
4.5
|
36.2
|
1.0
|
CB
|
A:ASN578
|
4.5
|
40.3
|
1.0
|
CB
|
A:ASP551
|
4.6
|
34.8
|
1.0
|
CA
|
A:GLN581
|
4.6
|
36.0
|
1.0
|
O13
|
A:TZD703
|
4.6
|
35.3
|
1.0
|
O23
|
A:TZD703
|
4.6
|
29.9
|
1.0
|
C
|
A:GLY550
|
4.6
|
39.1
|
1.0
|
N
|
A:ASN578
|
4.6
|
39.1
|
1.0
|
CA
|
A:ASP551
|
4.6
|
34.5
|
1.0
|
CA
|
A:GLY582
|
4.8
|
34.6
|
1.0
|
C
|
A:GLN581
|
4.9
|
35.7
|
1.0
|
N
|
A:GLU579
|
4.9
|
37.9
|
1.0
|
CA
|
A:ASN578
|
5.0
|
37.3
|
1.0
|
|
Magnesium binding site 2 out
of 2 in 7ehe
Go back to
Magnesium Binding Sites List in 7ehe
Magnesium binding site 2 out
of 2 in the Acetolactate Synthase From Trichoderma Harzianum
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Acetolactate Synthase From Trichoderma Harzianum within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg701
b:31.5
occ:1.00
|
O
|
B:HOH807
|
1.9
|
47.7
|
1.0
|
O12
|
B:TZD703
|
2.2
|
38.1
|
1.0
|
OD1
|
B:ASN578
|
2.2
|
53.6
|
1.0
|
O
|
B:GLU580
|
2.3
|
46.0
|
1.0
|
O22
|
B:TZD703
|
2.3
|
39.7
|
1.0
|
OD1
|
B:ASP551
|
2.4
|
42.9
|
1.0
|
CG
|
B:ASN578
|
3.1
|
51.1
|
1.0
|
ND2
|
B:ASN578
|
3.3
|
50.5
|
1.0
|
P1
|
B:TZD703
|
3.4
|
42.1
|
1.0
|
C
|
B:GLU580
|
3.5
|
49.7
|
1.0
|
CG
|
B:ASP551
|
3.5
|
46.9
|
1.0
|
P2
|
B:TZD703
|
3.5
|
47.4
|
1.0
|
O11
|
B:TZD703
|
3.7
|
50.4
|
1.0
|
OD2
|
B:ASP551
|
4.0
|
49.7
|
1.0
|
N
|
B:ASP551
|
4.0
|
43.2
|
1.0
|
N
|
B:GLY582
|
4.1
|
54.7
|
1.0
|
N
|
B:GLU580
|
4.1
|
45.8
|
1.0
|
O5G
|
B:TZD703
|
4.2
|
44.7
|
1.0
|
N
|
B:ALA552
|
4.4
|
45.7
|
1.0
|
O21
|
B:TZD703
|
4.4
|
48.6
|
1.0
|
CA
|
B:GLU580
|
4.4
|
51.2
|
1.0
|
N
|
B:GLN581
|
4.4
|
45.1
|
1.0
|
CA
|
B:GLN581
|
4.5
|
49.6
|
1.0
|
CG
|
B:GLU580
|
4.5
|
53.8
|
1.0
|
CB
|
B:ASN578
|
4.5
|
52.7
|
1.0
|
O23
|
B:TZD703
|
4.6
|
48.3
|
1.0
|
CA
|
B:GLY550
|
4.6
|
48.9
|
1.0
|
O13
|
B:TZD703
|
4.6
|
41.8
|
1.0
|
O
|
B:LEU576
|
4.7
|
49.7
|
1.0
|
C
|
B:GLY550
|
4.7
|
48.0
|
1.0
|
N
|
B:ASN578
|
4.7
|
52.4
|
1.0
|
CB
|
B:ASP551
|
4.7
|
42.7
|
1.0
|
NE2
|
B:GLN601
|
4.7
|
45.4
|
1.0
|
CA
|
B:ASP551
|
4.8
|
42.9
|
1.0
|
N
|
B:GLU579
|
4.8
|
50.6
|
1.0
|
C
|
B:GLN581
|
4.8
|
50.8
|
1.0
|
CA
|
B:GLY582
|
4.9
|
50.7
|
1.0
|
CB
|
B:ALA552
|
4.9
|
39.9
|
1.0
|
CA
|
B:ASN578
|
5.0
|
51.9
|
1.0
|
|
Reference:
L.Xie,
X.Zang,
W.Cheng,
Z.Zhang,
J.Zhou,
M.Chen,
Y.Tang.
Harzianic Acid From Trichoderma Afroharzianum Is A Natural Product Inhibitor of Acetohydroxyacid Synthase. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 34132537
DOI: 10.1021/JACS.1C03988
Page generated: Sun Jul 11 16:42:56 2021
|