Magnesium in PDB 4n93: Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase
Enzymatic activity of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase
All present enzymatic activity of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase:
2.4.2.18;
Protein crystallography data
The structure of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase, PDB code: 4n93
was solved by
A.Castell,
F.L.Short,
J.S.Lott,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
73.41 /
2.03
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
79.572,
92.161,
121.424,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.9 /
22.1
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase
(pdb code 4n93). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase, PDB code: 4n93:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 4n93
Go back to
Magnesium Binding Sites List in 4n93
Magnesium binding site 1 out
of 4 in the Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg501
b:32.9
occ:1.00
|
O
|
A:HOH749
|
2.1
|
34.6
|
1.0
|
OD1
|
A:ASP251
|
2.2
|
23.1
|
1.0
|
OE2
|
A:GLU252
|
2.3
|
16.5
|
1.0
|
O
|
A:HOH609
|
2.5
|
14.4
|
1.0
|
O
|
A:HOH687
|
2.6
|
26.8
|
1.0
|
CG
|
A:ASP251
|
3.2
|
21.6
|
1.0
|
CD
|
A:GLU252
|
3.2
|
20.8
|
1.0
|
CG
|
A:GLU252
|
3.4
|
17.8
|
1.0
|
MG
|
A:MG502
|
3.5
|
15.9
|
1.0
|
OD2
|
A:ASP251
|
3.5
|
21.1
|
1.0
|
OD2
|
A:ASP111
|
3.6
|
30.6
|
1.0
|
O
|
A:HOH787
|
3.7
|
37.9
|
1.0
|
O2B
|
A:PRP505
|
3.8
|
16.4
|
1.0
|
O
|
A:ASP251
|
4.2
|
17.6
|
1.0
|
O
|
A:HOH619
|
4.2
|
18.4
|
1.0
|
OG1
|
A:THR115
|
4.2
|
33.4
|
1.0
|
O
|
A:HOH852
|
4.4
|
48.9
|
1.0
|
OE1
|
A:GLU252
|
4.4
|
22.4
|
1.0
|
C
|
A:ASP251
|
4.5
|
18.8
|
1.0
|
CB
|
A:ASP251
|
4.5
|
19.4
|
1.0
|
CG
|
A:ASP111
|
4.5
|
31.8
|
1.0
|
N
|
A:ASP251
|
4.6
|
19.6
|
1.0
|
O3B
|
A:PRP505
|
4.7
|
23.0
|
1.0
|
CA
|
A:ASP251
|
4.8
|
19.4
|
1.0
|
CB
|
A:GLU252
|
4.8
|
18.8
|
1.0
|
PB
|
A:PRP505
|
4.9
|
17.8
|
1.0
|
O4
|
A:PRP505
|
5.0
|
31.4
|
1.0
|
OD1
|
A:ASP111
|
5.0
|
28.4
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 4n93
Go back to
Magnesium Binding Sites List in 4n93
Magnesium binding site 2 out
of 4 in the Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg502
b:15.9
occ:1.00
|
O2B
|
A:PRP505
|
2.0
|
16.4
|
1.0
|
O2A
|
A:PRP505
|
2.0
|
18.5
|
1.0
|
O
|
A:HOH619
|
2.1
|
18.4
|
1.0
|
O
|
A:HOH609
|
2.1
|
14.4
|
1.0
|
OG
|
A:SER119
|
2.1
|
16.1
|
1.0
|
OE2
|
A:GLU252
|
2.2
|
16.5
|
1.0
|
CB
|
A:SER119
|
3.1
|
15.7
|
1.0
|
CD
|
A:GLU252
|
3.1
|
20.8
|
1.0
|
PA
|
A:PRP505
|
3.3
|
23.4
|
1.0
|
PB
|
A:PRP505
|
3.3
|
17.8
|
1.0
|
OE1
|
A:GLU252
|
3.4
|
22.4
|
1.0
|
MG
|
A:MG501
|
3.5
|
32.9
|
1.0
|
O3A
|
A:PRP505
|
3.5
|
24.2
|
1.0
|
N
|
A:GLY107
|
3.9
|
17.7
|
1.0
|
OD2
|
A:ASP251
|
3.9
|
21.1
|
1.0
|
O
|
A:HOH687
|
4.0
|
26.8
|
1.0
|
N
|
A:SER119
|
4.0
|
15.5
|
1.0
|
CA
|
A:SER119
|
4.1
|
15.8
|
1.0
|
O3B
|
A:PRP505
|
4.2
|
23.0
|
1.0
|
O
|
A:ASP251
|
4.2
|
17.6
|
1.0
|
O4
|
A:PRP505
|
4.3
|
31.4
|
1.0
|
O
|
A:HOH648
|
4.3
|
24.8
|
1.0
|
CA
|
A:GLY107
|
4.3
|
16.8
|
1.0
|
O1
|
A:PRP505
|
4.3
|
24.8
|
1.0
|
O1A
|
A:PRP505
|
4.4
|
26.4
|
1.0
|
OD1
|
A:ASP251
|
4.4
|
23.1
|
1.0
|
O1B
|
A:PRP505
|
4.4
|
17.9
|
1.0
|
CG
|
A:ASP251
|
4.4
|
21.6
|
1.0
|
CG
|
A:GLU252
|
4.5
|
17.8
|
1.0
|
C1
|
A:PRP505
|
4.5
|
27.6
|
1.0
|
C
|
A:VAL106
|
4.6
|
16.8
|
1.0
|
CA
|
A:VAL106
|
4.8
|
15.9
|
1.0
|
O
|
A:HOH787
|
4.9
|
37.9
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 4n93
Go back to
Magnesium Binding Sites List in 4n93
Magnesium binding site 3 out
of 4 in the Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg403
b:22.4
occ:1.00
|
O3B
|
B:PRP401
|
2.1
|
18.2
|
1.0
|
O1A
|
B:PRP401
|
2.1
|
27.8
|
1.0
|
OG
|
B:SER119
|
2.1
|
17.9
|
1.0
|
O
|
B:HOH532
|
2.1
|
20.4
|
1.0
|
OE2
|
B:GLU252
|
2.2
|
24.1
|
1.0
|
O
|
B:HOH525
|
2.3
|
18.7
|
1.0
|
CD
|
B:GLU252
|
3.1
|
26.4
|
1.0
|
CB
|
B:SER119
|
3.1
|
16.2
|
1.0
|
PB
|
B:PRP401
|
3.3
|
22.1
|
1.0
|
OE1
|
B:GLU252
|
3.3
|
27.1
|
1.0
|
PA
|
B:PRP401
|
3.3
|
27.3
|
1.0
|
MG
|
B:MG404
|
3.5
|
37.7
|
1.0
|
O3A
|
B:PRP401
|
3.7
|
27.1
|
1.0
|
O
|
B:HOH556
|
3.8
|
26.3
|
1.0
|
N
|
B:GLY107
|
3.9
|
19.9
|
1.0
|
OD2
|
B:ASP251
|
4.0
|
24.1
|
1.0
|
N
|
B:SER119
|
4.0
|
16.2
|
1.0
|
CA
|
B:SER119
|
4.1
|
16.2
|
1.0
|
O
|
B:ASP251
|
4.2
|
23.9
|
1.0
|
O4
|
B:PRP401
|
4.3
|
30.2
|
0.8
|
O
|
B:HOH575
|
4.3
|
28.5
|
1.0
|
O2A
|
B:PRP401
|
4.4
|
32.1
|
1.0
|
OD1
|
B:ASP251
|
4.4
|
26.6
|
1.0
|
O2B
|
B:PRP401
|
4.4
|
22.4
|
1.0
|
O1
|
B:PRP401
|
4.4
|
28.4
|
0.8
|
O1B
|
B:PRP401
|
4.4
|
24.5
|
1.0
|
CG
|
B:GLU252
|
4.4
|
23.8
|
1.0
|
CG
|
B:ASP251
|
4.4
|
24.8
|
1.0
|
CA
|
B:GLY107
|
4.5
|
19.9
|
1.0
|
C
|
B:VAL106
|
4.6
|
19.3
|
1.0
|
C1
|
B:PRP401
|
4.7
|
28.8
|
0.8
|
CA
|
B:VAL106
|
4.8
|
19.0
|
1.0
|
O
|
B:HOH757
|
4.9
|
28.7
|
0.5
|
O
|
B:HOH646
|
5.0
|
33.2
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 4n93
Go back to
Magnesium Binding Sites List in 4n93
Magnesium binding site 4 out
of 4 in the Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg404
b:37.7
occ:1.00
|
O
|
B:HOH705
|
2.2
|
42.0
|
1.0
|
OD1
|
B:ASP251
|
2.3
|
26.6
|
1.0
|
OE2
|
B:GLU252
|
2.3
|
24.1
|
1.0
|
O
|
B:HOH532
|
2.5
|
20.4
|
1.0
|
O
|
B:HOH556
|
2.6
|
26.3
|
1.0
|
CD
|
B:GLU252
|
3.2
|
26.4
|
1.0
|
CG
|
B:ASP251
|
3.3
|
24.8
|
1.0
|
CG
|
B:GLU252
|
3.4
|
23.8
|
1.0
|
MG
|
B:MG403
|
3.5
|
22.4
|
1.0
|
OD2
|
B:ASP251
|
3.5
|
24.1
|
1.0
|
O
|
B:HOH757
|
3.6
|
28.7
|
0.5
|
O
|
B:HOH728
|
3.6
|
43.5
|
1.0
|
OD2
|
B:ASP111
|
3.7
|
37.0
|
1.0
|
O3B
|
B:PRP401
|
3.8
|
18.2
|
1.0
|
OG1
|
B:THR115
|
4.2
|
32.6
|
1.0
|
O
|
B:HOH756
|
4.3
|
26.5
|
0.5
|
O
|
B:ASP251
|
4.3
|
23.9
|
1.0
|
OE1
|
B:GLU252
|
4.4
|
27.1
|
1.0
|
O
|
B:HOH525
|
4.5
|
18.7
|
1.0
|
CG
|
B:ASP111
|
4.5
|
36.2
|
1.0
|
C
|
B:ASP251
|
4.6
|
24.2
|
1.0
|
CB
|
B:ASP251
|
4.6
|
23.5
|
1.0
|
N
|
B:ASP251
|
4.8
|
25.0
|
1.0
|
OD1
|
B:ASP111
|
4.8
|
36.1
|
1.0
|
O4
|
B:PRP401
|
4.9
|
30.2
|
0.8
|
CA
|
B:ASP251
|
4.9
|
24.4
|
1.0
|
PB
|
B:PRP401
|
4.9
|
22.1
|
1.0
|
CB
|
B:GLU252
|
4.9
|
22.6
|
1.0
|
O1B
|
B:PRP401
|
4.9
|
24.5
|
1.0
|
|
Reference:
T.V.Cookson,
A.Castell,
E.M.Bulloch,
G.L.Evans,
F.L.Short,
E.N.Baker,
J.S.Lott,
E.J.Parker.
Alternative Substrates Reveal Catalytic Cycle and Key Binding Events in the Reaction Catalysed By Anthranilate Phosphoribosyltransferase From Mycobacterium Tuberculosis. Biochem.J. V. 461 87 2014.
ISSN: ISSN 0264-6021
PubMed: 24712732
DOI: 10.1042/BJ20140209
Page generated: Mon Aug 19 23:26:42 2024
|