Magnesium in PDB 3zhr: Crystal Structure of the H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed
Enzymatic activity of Crystal Structure of the H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed
All present enzymatic activity of Crystal Structure of the H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed:
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 H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed, PDB code: 3zhr
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)
|
30.75 /
2.10
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
79.970,
83.450,
159.670,
99.64,
98.82,
100.98
|
R / Rfree (%)
|
18.01 /
20.2
|
Other elements in 3zhr:
The structure of Crystal Structure of the H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of the H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed
(pdb code 3zhr). 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 H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed, PDB code: 3zhr:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 3zhr
Go back to
Magnesium Binding Sites List in 3zhr
Magnesium binding site 1 out
of 4 in the Crystal Structure of the H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed
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 H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg2002
b:12.1
occ:1.00
|
O
|
A:HOH3082
|
2.1
|
16.6
|
1.0
|
O2B
|
A:TPP2001
|
2.1
|
20.1
|
1.0
|
OD1
|
A:ASP645
|
2.1
|
26.9
|
1.0
|
O2A
|
A:TPP2001
|
2.1
|
19.2
|
1.0
|
OD1
|
A:ASN678
|
2.1
|
28.4
|
1.0
|
O
|
A:ILE680
|
2.2
|
23.9
|
1.0
|
CG
|
A:ASP645
|
3.1
|
28.6
|
1.0
|
CG
|
A:ASN678
|
3.1
|
29.8
|
1.0
|
PA
|
A:TPP2001
|
3.3
|
20.7
|
1.0
|
PB
|
A:TPP2001
|
3.3
|
24.1
|
1.0
|
O3A
|
A:TPP2001
|
3.4
|
26.9
|
1.0
|
C
|
A:ILE680
|
3.5
|
23.2
|
1.0
|
OD2
|
A:ASP645
|
3.5
|
34.9
|
1.0
|
ND2
|
A:ASN678
|
3.6
|
22.8
|
1.0
|
O3B
|
A:TPP2001
|
3.9
|
22.4
|
1.0
|
N
|
A:ASP645
|
4.0
|
23.0
|
1.0
|
O7
|
A:TPP2001
|
4.1
|
21.9
|
1.0
|
N
|
A:ILE680
|
4.1
|
22.9
|
1.0
|
O
|
A:HOH3107
|
4.2
|
23.6
|
1.0
|
N
|
A:ASN678
|
4.3
|
20.9
|
1.0
|
O
|
A:VAL676
|
4.3
|
27.9
|
1.0
|
N
|
A:GLY681
|
4.4
|
17.2
|
1.0
|
CB
|
A:ASP645
|
4.4
|
24.3
|
1.0
|
CA
|
A:ILE680
|
4.4
|
23.1
|
1.0
|
CA
|
A:GLY681
|
4.4
|
18.8
|
1.0
|
O1A
|
A:TPP2001
|
4.4
|
23.1
|
1.0
|
N
|
A:ALA646
|
4.4
|
19.4
|
1.0
|
CB
|
A:ASN678
|
4.4
|
18.8
|
1.0
|
O1B
|
A:TPP2001
|
4.6
|
24.9
|
1.0
|
N
|
A:GLN679
|
4.6
|
20.1
|
1.0
|
CA
|
A:ASP645
|
4.7
|
22.0
|
1.0
|
CG2
|
A:ILE680
|
4.7
|
26.6
|
1.0
|
CA
|
A:ASN678
|
4.7
|
20.5
|
1.0
|
C
|
A:ASN678
|
4.7
|
26.0
|
1.0
|
CA
|
A:GLY644
|
4.8
|
25.9
|
1.0
|
C
|
A:GLY644
|
4.8
|
27.9
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 3zhr
Go back to
Magnesium Binding Sites List in 3zhr
Magnesium binding site 2 out
of 4 in the Crystal Structure of the H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed
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 H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg2002
b:16.3
occ:1.00
|
O2A
|
B:TPP2001
|
2.1
|
19.6
|
1.0
|
O
|
B:HOH3079
|
2.1
|
23.3
|
1.0
|
OD1
|
B:ASP645
|
2.1
|
27.2
|
1.0
|
OD1
|
B:ASN678
|
2.1
|
35.1
|
1.0
|
O2B
|
B:TPP2001
|
2.2
|
17.3
|
1.0
|
O
|
B:ILE680
|
2.2
|
26.4
|
1.0
|
CG
|
B:ASP645
|
3.1
|
29.9
|
1.0
|
CG
|
B:ASN678
|
3.2
|
32.8
|
1.0
|
PA
|
B:TPP2001
|
3.2
|
24.5
|
1.0
|
PB
|
B:TPP2001
|
3.3
|
22.8
|
1.0
|
O3A
|
B:TPP2001
|
3.4
|
26.5
|
1.0
|
C
|
B:ILE680
|
3.4
|
27.4
|
1.0
|
OD2
|
B:ASP645
|
3.5
|
38.4
|
1.0
|
ND2
|
B:ASN678
|
3.6
|
23.4
|
1.0
|
O3B
|
B:TPP2001
|
3.9
|
23.8
|
1.0
|
N
|
B:ASP645
|
4.0
|
22.3
|
1.0
|
O7
|
B:TPP2001
|
4.0
|
24.1
|
1.0
|
N
|
B:ILE680
|
4.2
|
24.6
|
1.0
|
O
|
B:HOH3044
|
4.2
|
26.1
|
1.0
|
N
|
B:ASN678
|
4.3
|
17.6
|
1.0
|
O
|
B:VAL676
|
4.3
|
29.5
|
1.0
|
N
|
B:GLY681
|
4.3
|
25.9
|
1.0
|
CA
|
B:GLY681
|
4.4
|
25.7
|
1.0
|
CB
|
B:ASP645
|
4.4
|
26.5
|
1.0
|
O1A
|
B:TPP2001
|
4.4
|
23.9
|
1.0
|
N
|
B:ALA646
|
4.4
|
25.4
|
1.0
|
CA
|
B:ILE680
|
4.4
|
23.5
|
1.0
|
CB
|
B:ASN678
|
4.5
|
19.8
|
1.0
|
O1B
|
B:TPP2001
|
4.6
|
24.3
|
1.0
|
CA
|
B:ASP645
|
4.6
|
23.5
|
1.0
|
CG2
|
B:ILE680
|
4.7
|
24.7
|
1.0
|
N
|
B:GLN679
|
4.7
|
22.3
|
1.0
|
CA
|
B:ASN678
|
4.7
|
18.4
|
1.0
|
C
|
B:GLY644
|
4.7
|
23.4
|
1.0
|
CA
|
B:GLY644
|
4.8
|
22.0
|
1.0
|
C
|
B:ASN678
|
4.8
|
25.9
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 3zhr
Go back to
Magnesium Binding Sites List in 3zhr
Magnesium binding site 3 out
of 4 in the Crystal Structure of the H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed
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 H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg2002
b:11.7
occ:1.00
|
OD1
|
C:ASN678
|
2.1
|
26.6
|
1.0
|
O
|
C:HOH3082
|
2.1
|
17.7
|
1.0
|
OD1
|
C:ASP645
|
2.1
|
23.4
|
1.0
|
O2B
|
C:TPP2001
|
2.2
|
23.9
|
1.0
|
O2A
|
C:TPP2001
|
2.2
|
21.6
|
1.0
|
O
|
C:ILE680
|
2.2
|
25.1
|
1.0
|
CG
|
C:ASN678
|
3.1
|
33.8
|
1.0
|
CG
|
C:ASP645
|
3.1
|
28.1
|
1.0
|
PB
|
C:TPP2001
|
3.3
|
25.9
|
1.0
|
PA
|
C:TPP2001
|
3.3
|
23.5
|
1.0
|
C
|
C:ILE680
|
3.4
|
24.9
|
1.0
|
O3A
|
C:TPP2001
|
3.5
|
22.8
|
1.0
|
OD2
|
C:ASP645
|
3.5
|
30.3
|
1.0
|
ND2
|
C:ASN678
|
3.6
|
26.4
|
1.0
|
O3B
|
C:TPP2001
|
3.9
|
24.6
|
1.0
|
N
|
C:ASP645
|
4.0
|
24.8
|
1.0
|
N
|
C:ILE680
|
4.1
|
23.3
|
1.0
|
O7
|
C:TPP2001
|
4.1
|
25.2
|
1.0
|
N
|
C:ASN678
|
4.2
|
22.7
|
1.0
|
N
|
C:GLY681
|
4.3
|
22.4
|
1.0
|
O
|
C:VAL676
|
4.3
|
28.3
|
1.0
|
O
|
C:HOH3107
|
4.4
|
22.4
|
1.0
|
CA
|
C:ILE680
|
4.4
|
22.0
|
1.0
|
CA
|
C:GLY681
|
4.4
|
22.3
|
1.0
|
CB
|
C:ASP645
|
4.4
|
25.9
|
1.0
|
CB
|
C:ASN678
|
4.4
|
18.7
|
1.0
|
N
|
C:ALA646
|
4.4
|
22.4
|
1.0
|
O1A
|
C:TPP2001
|
4.5
|
23.1
|
1.0
|
CG2
|
C:ILE680
|
4.6
|
25.1
|
1.0
|
N
|
C:GLN679
|
4.6
|
23.4
|
1.0
|
O1B
|
C:TPP2001
|
4.6
|
25.3
|
1.0
|
CA
|
C:ASN678
|
4.7
|
21.8
|
1.0
|
CA
|
C:ASP645
|
4.7
|
24.3
|
1.0
|
C
|
C:ASN678
|
4.7
|
26.8
|
1.0
|
C
|
C:GLY644
|
4.8
|
27.6
|
1.0
|
CA
|
C:GLY644
|
4.8
|
25.1
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 3zhr
Go back to
Magnesium Binding Sites List in 3zhr
Magnesium binding site 4 out
of 4 in the Crystal Structure of the H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed
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 H747A Mutant of the Suca Domain of Mycobacterium Smegmatis Kgd Showing the Active Site Lid Closed within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg2002
b:16.5
occ:1.00
|
O2B
|
D:TPP2001
|
2.0
|
21.0
|
1.0
|
OD1
|
D:ASN678
|
2.1
|
28.2
|
1.0
|
O2A
|
D:TPP2001
|
2.1
|
25.0
|
1.0
|
O
|
D:ILE680
|
2.2
|
24.3
|
1.0
|
O
|
D:HOH3068
|
2.2
|
25.6
|
1.0
|
OD1
|
D:ASP645
|
2.2
|
31.2
|
1.0
|
CG
|
D:ASN678
|
3.1
|
30.9
|
1.0
|
CG
|
D:ASP645
|
3.2
|
32.6
|
1.0
|
PB
|
D:TPP2001
|
3.2
|
21.5
|
1.0
|
PA
|
D:TPP2001
|
3.2
|
22.5
|
1.0
|
O3A
|
D:TPP2001
|
3.4
|
23.6
|
1.0
|
C
|
D:ILE680
|
3.4
|
25.1
|
1.0
|
ND2
|
D:ASN678
|
3.6
|
21.0
|
1.0
|
OD2
|
D:ASP645
|
3.6
|
36.2
|
1.0
|
O3B
|
D:TPP2001
|
3.9
|
20.9
|
1.0
|
O7
|
D:TPP2001
|
4.0
|
21.8
|
1.0
|
N
|
D:ASP645
|
4.1
|
22.0
|
1.0
|
N
|
D:ILE680
|
4.1
|
24.6
|
1.0
|
O
|
D:HOH3091
|
4.2
|
22.9
|
1.0
|
N
|
D:GLY681
|
4.3
|
20.1
|
1.0
|
CA
|
D:GLY681
|
4.3
|
20.2
|
1.0
|
N
|
D:ASN678
|
4.3
|
24.2
|
1.0
|
CA
|
D:ILE680
|
4.4
|
23.6
|
1.0
|
O
|
D:VAL676
|
4.4
|
30.0
|
1.0
|
O1A
|
D:TPP2001
|
4.4
|
19.6
|
1.0
|
CB
|
D:ASN678
|
4.5
|
24.7
|
1.0
|
CB
|
D:ASP645
|
4.5
|
22.7
|
1.0
|
N
|
D:ALA646
|
4.5
|
23.1
|
1.0
|
O1B
|
D:TPP2001
|
4.5
|
21.8
|
1.0
|
CG2
|
D:ILE680
|
4.6
|
25.6
|
1.0
|
N
|
D:GLN679
|
4.7
|
22.4
|
1.0
|
CA
|
D:ASN678
|
4.7
|
25.4
|
1.0
|
CA
|
D:ASP645
|
4.7
|
21.5
|
1.0
|
C
|
D:ASN678
|
4.8
|
27.6
|
1.0
|
CA
|
D:GLY644
|
4.9
|
23.7
|
1.0
|
C
|
D:GLY644
|
4.9
|
25.0
|
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 13:53:35 2024
|