Magnesium in PDB 3zht: Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate
Enzymatic activity of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate
All present enzymatic activity of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate:
1.2.4.2;
2.2.1.5;
2.3.1.61;
4.1.1.71;
Protein crystallography data
The structure of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate, PDB code: 3zht
was solved by
T.Wagner,
N.Barilone,
M.Bellinzoni,
P.M.Alzari,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
41.11 /
2.15
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.366,
83.800,
159.513,
99.76,
99.06,
100.61
|
R / Rfree (%)
|
22.3 /
24.57
|
Other elements in 3zht:
The structure of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate
(pdb code 3zht). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate, PDB code: 3zht:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 3zht
Go back to
Magnesium Binding Sites List in 3zht
Magnesium binding site 1 out
of 4 in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg2002
b:25.3
occ:1.00
|
O
|
A:ILE680
|
2.0
|
32.7
|
1.0
|
O1B
|
A:TD92001
|
2.1
|
27.7
|
1.0
|
OD1
|
A:ASP645
|
2.1
|
29.6
|
1.0
|
O2A
|
A:TD92001
|
2.2
|
28.1
|
1.0
|
O
|
A:HOH3074
|
2.2
|
22.6
|
1.0
|
OD1
|
A:ASN678
|
2.2
|
30.6
|
1.0
|
O3A
|
A:TD92001
|
3.1
|
32.6
|
1.0
|
CG
|
A:ASP645
|
3.2
|
30.3
|
1.0
|
CG
|
A:ASN678
|
3.2
|
34.3
|
1.0
|
C
|
A:ILE680
|
3.3
|
32.3
|
1.0
|
PA
|
A:TD92001
|
3.3
|
29.5
|
1.0
|
PB
|
A:TD92001
|
3.3
|
32.2
|
1.0
|
ND2
|
A:ASN678
|
3.7
|
25.0
|
1.0
|
OD2
|
A:ASP645
|
3.7
|
25.4
|
1.0
|
O2B
|
A:TD92001
|
3.9
|
29.7
|
1.0
|
N
|
A:ASP645
|
4.0
|
24.1
|
1.0
|
O5G
|
A:TD92001
|
4.0
|
28.4
|
1.0
|
N
|
A:ILE680
|
4.0
|
29.4
|
1.0
|
N
|
A:GLY681
|
4.1
|
28.2
|
1.0
|
CA
|
A:ILE680
|
4.2
|
29.2
|
1.0
|
CA
|
A:GLY681
|
4.2
|
27.9
|
1.0
|
N
|
A:ALA646
|
4.4
|
21.6
|
1.0
|
O
|
A:HOH3041
|
4.4
|
32.2
|
1.0
|
N
|
A:ASN678
|
4.4
|
29.1
|
1.0
|
CB
|
A:ASP645
|
4.4
|
24.0
|
1.0
|
O1A
|
A:TD92001
|
4.4
|
33.3
|
1.0
|
O
|
A:VAL676
|
4.5
|
31.8
|
1.0
|
O3B
|
A:TD92001
|
4.5
|
30.9
|
1.0
|
CB
|
A:ASN678
|
4.5
|
30.0
|
1.0
|
CG2
|
A:ILE680
|
4.6
|
30.8
|
1.0
|
CA
|
A:ASP645
|
4.7
|
22.4
|
1.0
|
N
|
A:GLN679
|
4.8
|
31.6
|
1.0
|
C
|
A:ASN678
|
4.8
|
33.9
|
1.0
|
CA
|
A:ASN678
|
4.8
|
28.5
|
1.0
|
C
|
A:GLY644
|
4.8
|
27.6
|
1.0
|
CA
|
A:GLY644
|
4.9
|
25.9
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 3zht
Go back to
Magnesium Binding Sites List in 3zht
Magnesium binding site 2 out
of 4 in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg2002
b:28.4
occ:1.00
|
O
|
B:HOH3067
|
2.1
|
33.7
|
1.0
|
O
|
B:ILE680
|
2.1
|
30.2
|
1.0
|
O2A
|
B:TD92001
|
2.1
|
26.9
|
1.0
|
OD1
|
B:ASN678
|
2.1
|
29.2
|
1.0
|
O1B
|
B:TD92001
|
2.2
|
20.4
|
1.0
|
OD1
|
B:ASP645
|
2.2
|
31.6
|
1.0
|
CG
|
B:ASN678
|
3.1
|
32.6
|
1.0
|
O3A
|
B:TD92001
|
3.2
|
32.9
|
1.0
|
CG
|
B:ASP645
|
3.3
|
31.0
|
1.0
|
PB
|
B:TD92001
|
3.3
|
29.0
|
1.0
|
C
|
B:ILE680
|
3.3
|
30.9
|
1.0
|
PA
|
B:TD92001
|
3.3
|
32.7
|
1.0
|
ND2
|
B:ASN678
|
3.6
|
20.3
|
1.0
|
O2B
|
B:TD92001
|
3.8
|
27.8
|
1.0
|
OD2
|
B:ASP645
|
3.8
|
36.5
|
1.0
|
N
|
B:ASP645
|
3.9
|
27.1
|
1.0
|
O5G
|
B:TD92001
|
4.1
|
29.3
|
1.0
|
N
|
B:ILE680
|
4.1
|
28.2
|
1.0
|
N
|
B:GLY681
|
4.2
|
27.1
|
1.0
|
O
|
B:HOH3083
|
4.3
|
34.0
|
1.0
|
O
|
B:VAL676
|
4.3
|
34.0
|
1.0
|
CA
|
B:ILE680
|
4.3
|
27.6
|
1.0
|
N
|
B:ASN678
|
4.3
|
27.7
|
1.0
|
CA
|
B:GLY681
|
4.3
|
26.1
|
1.0
|
N
|
B:ALA646
|
4.4
|
27.2
|
1.0
|
CB
|
B:ASP645
|
4.4
|
29.7
|
1.0
|
CB
|
B:ASN678
|
4.4
|
25.2
|
1.0
|
O1A
|
B:TD92001
|
4.5
|
31.9
|
1.0
|
O3B
|
B:TD92001
|
4.5
|
35.9
|
1.0
|
CG2
|
B:ILE680
|
4.6
|
28.7
|
1.0
|
CA
|
B:ASP645
|
4.6
|
27.2
|
1.0
|
CA
|
B:ASN678
|
4.7
|
27.8
|
1.0
|
C
|
B:GLY644
|
4.7
|
29.0
|
1.0
|
CA
|
B:GLY644
|
4.8
|
27.3
|
1.0
|
N
|
B:GLN679
|
4.8
|
26.0
|
1.0
|
C
|
B:ASN678
|
4.8
|
31.8
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 3zht
Go back to
Magnesium Binding Sites List in 3zht
Magnesium binding site 3 out
of 4 in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg2002
b:22.8
occ:1.00
|
OD1
|
C:ASP645
|
2.1
|
35.8
|
1.0
|
O
|
C:HOH3066
|
2.1
|
19.8
|
1.0
|
O
|
C:ILE680
|
2.1
|
31.7
|
1.0
|
O2A
|
C:TD92001
|
2.1
|
26.8
|
1.0
|
O1B
|
C:TD92001
|
2.2
|
24.7
|
1.0
|
OD1
|
C:ASN678
|
2.2
|
34.6
|
1.0
|
O3A
|
C:TD92001
|
3.0
|
33.5
|
1.0
|
CG
|
C:ASP645
|
3.1
|
38.1
|
1.0
|
PA
|
C:TD92001
|
3.2
|
32.6
|
1.0
|
CG
|
C:ASN678
|
3.2
|
35.7
|
1.0
|
PB
|
C:TD92001
|
3.3
|
33.1
|
1.0
|
C
|
C:ILE680
|
3.4
|
32.4
|
1.0
|
ND2
|
C:ASN678
|
3.7
|
24.5
|
1.0
|
OD2
|
C:ASP645
|
3.7
|
35.6
|
1.0
|
O2B
|
C:TD92001
|
3.8
|
30.7
|
1.0
|
N
|
C:ASP645
|
3.9
|
26.2
|
1.0
|
O5G
|
C:TD92001
|
4.1
|
29.6
|
1.0
|
N
|
C:ILE680
|
4.1
|
28.7
|
1.0
|
N
|
C:GLY681
|
4.2
|
29.5
|
1.0
|
N
|
C:ALA646
|
4.3
|
22.5
|
1.0
|
CB
|
C:ASP645
|
4.3
|
29.3
|
1.0
|
CA
|
C:ILE680
|
4.3
|
28.5
|
1.0
|
CA
|
C:GLY681
|
4.3
|
28.3
|
1.0
|
O
|
C:VAL676
|
4.4
|
29.5
|
1.0
|
N
|
C:ASN678
|
4.4
|
31.9
|
1.0
|
O
|
C:HOH3039
|
4.4
|
34.6
|
1.0
|
O1A
|
C:TD92001
|
4.4
|
39.0
|
1.0
|
CB
|
C:ASN678
|
4.5
|
32.3
|
1.0
|
CA
|
C:ASP645
|
4.5
|
26.9
|
1.0
|
O3B
|
C:TD92001
|
4.5
|
33.5
|
1.0
|
CG2
|
C:ILE680
|
4.7
|
29.5
|
1.0
|
C
|
C:GLY644
|
4.7
|
29.4
|
1.0
|
CA
|
C:GLY644
|
4.7
|
26.7
|
1.0
|
CA
|
C:ASN678
|
4.8
|
32.2
|
1.0
|
N
|
C:GLN679
|
4.8
|
33.5
|
1.0
|
C
|
C:ASN678
|
4.8
|
37.8
|
1.0
|
C
|
C:ASP645
|
4.9
|
29.0
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 3zht
Go back to
Magnesium Binding Sites List in 3zht
Magnesium binding site 4 out
of 4 in the Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of the Suca Domain of Mycobacterium Smegmatis Kgd, First Post-Decarboxylation Intermediate From 2-Oxoadipate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg2002
b:24.2
occ:1.00
|
O1B
|
D:TD92001
|
2.0
|
18.9
|
1.0
|
O
|
D:ILE680
|
2.1
|
28.0
|
1.0
|
O2A
|
D:TD92001
|
2.1
|
24.2
|
1.0
|
O
|
D:HOH3060
|
2.1
|
33.4
|
1.0
|
OD1
|
D:ASP645
|
2.1
|
30.4
|
1.0
|
OD1
|
D:ASN678
|
2.2
|
30.6
|
1.0
|
O3A
|
D:TD92001
|
3.1
|
24.4
|
1.0
|
CG
|
D:ASN678
|
3.2
|
28.6
|
1.0
|
CG
|
D:ASP645
|
3.2
|
31.5
|
1.0
|
PB
|
D:TD92001
|
3.3
|
25.8
|
1.0
|
PA
|
D:TD92001
|
3.3
|
28.4
|
1.0
|
C
|
D:ILE680
|
3.3
|
28.6
|
1.0
|
ND2
|
D:ASN678
|
3.6
|
20.6
|
1.0
|
OD2
|
D:ASP645
|
3.8
|
32.8
|
1.0
|
O2B
|
D:TD92001
|
3.8
|
27.6
|
1.0
|
N
|
D:ASP645
|
4.0
|
26.5
|
1.0
|
O5G
|
D:TD92001
|
4.0
|
23.3
|
1.0
|
N
|
D:ILE680
|
4.1
|
25.3
|
1.0
|
N
|
D:GLY681
|
4.1
|
25.3
|
1.0
|
CA
|
D:GLY681
|
4.2
|
24.9
|
1.0
|
CA
|
D:ILE680
|
4.3
|
25.6
|
1.0
|
N
|
D:ALA646
|
4.3
|
25.2
|
1.0
|
N
|
D:ASN678
|
4.4
|
30.3
|
1.0
|
O
|
D:VAL676
|
4.4
|
33.1
|
1.0
|
CB
|
D:ASP645
|
4.4
|
26.7
|
1.0
|
O1A
|
D:TD92001
|
4.4
|
29.1
|
1.0
|
O
|
D:HOH3032
|
4.5
|
27.6
|
1.0
|
O3B
|
D:TD92001
|
4.5
|
25.8
|
1.0
|
CB
|
D:ASN678
|
4.5
|
27.7
|
1.0
|
CG2
|
D:ILE680
|
4.6
|
30.9
|
1.0
|
CA
|
D:ASP645
|
4.6
|
25.8
|
1.0
|
CA
|
D:ASN678
|
4.8
|
30.6
|
1.0
|
C
|
D:GLY644
|
4.8
|
29.4
|
1.0
|
N
|
D:GLN679
|
4.8
|
25.8
|
1.0
|
C
|
D:ASN678
|
4.8
|
31.8
|
1.0
|
CA
|
D:GLY644
|
4.8
|
27.2
|
1.0
|
C
|
D:ASP645
|
5.0
|
29.9
|
1.0
|
|
Reference:
T.Wagner,
N.Barilone,
P.M.Alzari,
M.Bellinzoni.
A Dual Conformation of the Post-Decarboxylation Intermediate Is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J. V. 457 425 2014.
ISSN: ISSN 0264-6021
PubMed: 24171907
DOI: 10.1042/BJ20131142
Page generated: Thu Aug 15 13:53:54 2024
|