Manganese in PDB 8qzj: Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
Protein crystallography data
The structure of Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis, PDB code: 8qzj
was solved by
S.Gavalda,
L.Mourey,
J.D.Pedelacq,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
47.97 /
2.00
|
|
Space group
|
P 2 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.86,
68.792,
210.063,
90,
90,
90
|
|
R / Rfree (%)
|
21.9 /
26.8
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
(pdb code 8qzj). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the
Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis, PDB code: 8qzj:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Manganese binding site 1 out
of 8 in 8qzj
Go back to
Manganese Binding Sites List in 8qzj
Manganese binding site 1 out
of 8 in the Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn302
b:66.8
occ:1.00
|
O
|
A:HOH414
|
1.8
|
61.6
|
1.0
|
|
OD1
|
A:ASP114
|
1.9
|
57.2
|
1.0
|
|
O
|
A:HOH408
|
2.1
|
52.7
|
1.0
|
|
O
|
A:HOH428
|
2.2
|
54.9
|
1.0
|
|
O5P
|
A:A3P301
|
2.3
|
58.8
|
1.0
|
|
O
|
A:HOH405
|
2.3
|
30.9
|
1.0
|
|
CG
|
A:ASP114
|
2.8
|
38.2
|
1.0
|
|
OE1
|
A:GLU157
|
3.1
|
73.3
|
1.0
|
|
OD2
|
A:ASP114
|
3.1
|
59.9
|
1.0
|
|
P2
|
A:A3P301
|
3.4
|
36.4
|
1.0
|
|
O4P
|
A:A3P301
|
3.4
|
48.5
|
1.0
|
|
HG2
|
A:GLU116
|
3.7
|
55.7
|
1.0
|
|
HG1
|
A:THR92
|
3.7
|
63.3
|
1.0
|
|
HZ1
|
A:LYS161
|
3.8
|
40.3
|
1.0
|
|
OE2
|
A:GLU116
|
3.9
|
74.0
|
1.0
|
|
H
|
A:ALA115
|
3.9
|
31.5
|
1.0
|
|
O
|
A:ALA115
|
4.0
|
47.2
|
1.0
|
|
CD
|
A:GLU157
|
4.0
|
61.2
|
1.0
|
|
CB
|
A:ASP114
|
4.2
|
53.0
|
1.0
|
|
HB3
|
A:GLU157
|
4.2
|
53.0
|
1.0
|
|
O
|
A:HOH459
|
4.2
|
41.6
|
1.0
|
|
O6P
|
A:A3P301
|
4.3
|
67.9
|
1.0
|
|
OG1
|
A:THR92
|
4.3
|
52.6
|
1.0
|
|
HB2
|
A:GLU157
|
4.3
|
53.0
|
1.0
|
|
HB2
|
A:ASP114
|
4.4
|
63.8
|
1.0
|
|
HA
|
A:ASP114
|
4.4
|
33.4
|
1.0
|
|
CG
|
A:GLU116
|
4.4
|
46.3
|
1.0
|
|
HG3
|
A:GLU116
|
4.4
|
55.7
|
1.0
|
|
HE2
|
A:PHE153
|
4.5
|
51.4
|
1.0
|
|
HZ2
|
A:LYS161
|
4.6
|
40.3
|
1.0
|
|
NZ
|
A:LYS161
|
4.6
|
33.5
|
1.0
|
|
O5'
|
A:A3P301
|
4.6
|
34.8
|
1.0
|
|
N
|
A:ALA115
|
4.6
|
26.1
|
1.0
|
|
CB
|
A:GLU157
|
4.6
|
44.1
|
1.0
|
|
CD
|
A:GLU116
|
4.6
|
66.5
|
1.0
|
|
HE3
|
A:LYS161
|
4.7
|
53.2
|
1.0
|
|
HG
|
A:CYS154
|
4.7
|
59.8
|
1.0
|
|
CG
|
A:GLU157
|
4.7
|
46.5
|
1.0
|
|
HG3
|
A:GLU157
|
4.8
|
55.9
|
1.0
|
|
OE2
|
A:GLU157
|
4.8
|
74.1
|
1.0
|
|
CA
|
A:ASP114
|
4.8
|
27.7
|
1.0
|
|
HB3
|
A:ASP114
|
4.8
|
63.8
|
1.0
|
|
C
|
A:ALA115
|
4.9
|
29.7
|
1.0
|
|
Manganese binding site 2 out
of 8 in 8qzj
Go back to
Manganese Binding Sites List in 8qzj
Manganese binding site 2 out
of 8 in the Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn303
b:57.0
occ:1.00
|
O
|
A:HOH478
|
2.0
|
54.0
|
1.0
|
|
O6P
|
A:A3P301
|
2.0
|
67.9
|
1.0
|
|
O
|
A:HOH450
|
2.1
|
63.8
|
1.0
|
|
O
|
A:HIS93
|
2.2
|
70.8
|
1.0
|
|
ND1
|
A:HIS93
|
2.3
|
44.8
|
1.0
|
|
O
|
A:HOH459
|
2.3
|
41.6
|
1.0
|
|
CE1
|
A:HIS93
|
3.0
|
35.5
|
1.0
|
|
HE1
|
A:HIS93
|
3.1
|
42.8
|
1.0
|
|
H
|
A:HIS93
|
3.1
|
28.6
|
1.0
|
|
C
|
A:HIS93
|
3.2
|
36.1
|
1.0
|
|
P2
|
A:A3P301
|
3.3
|
36.4
|
1.0
|
|
CG
|
A:HIS93
|
3.4
|
38.4
|
1.0
|
|
O4P
|
A:A3P301
|
3.6
|
48.5
|
1.0
|
|
H5'1
|
A:A3P301
|
3.6
|
36.3
|
1.0
|
|
N
|
A:HIS93
|
3.8
|
23.7
|
1.0
|
|
CA
|
A:HIS93
|
3.8
|
38.5
|
1.0
|
|
HB2
|
A:HIS93
|
3.9
|
28.9
|
1.0
|
|
CB
|
A:HIS93
|
3.9
|
24.0
|
1.0
|
|
HA
|
A:CYS94
|
4.1
|
45.1
|
1.0
|
|
H5'2
|
A:A3P301
|
4.2
|
36.3
|
1.0
|
|
NE2
|
A:HIS93
|
4.2
|
36.1
|
1.0
|
|
C5'
|
A:A3P301
|
4.3
|
30.1
|
1.0
|
|
OE2
|
A:GLU51
|
4.3
|
64.4
|
1.0
|
|
OE1
|
A:GLU51
|
4.3
|
51.4
|
1.0
|
|
N
|
A:CYS94
|
4.3
|
32.1
|
1.0
|
|
O5P
|
A:A3P301
|
4.3
|
58.8
|
1.0
|
|
O
|
A:HOH499
|
4.4
|
46.7
|
1.0
|
|
O5'
|
A:A3P301
|
4.4
|
34.8
|
1.0
|
|
CD2
|
A:HIS93
|
4.5
|
40.0
|
1.0
|
|
CD
|
A:GLU51
|
4.5
|
66.4
|
1.0
|
|
O
|
B:HOH524
|
4.5
|
43.4
|
1.0
|
|
O
|
A:HOH408
|
4.5
|
52.7
|
1.0
|
|
O
|
A:HOH508
|
4.5
|
48.8
|
1.0
|
|
O
|
A:HOH441
|
4.6
|
35.5
|
1.0
|
|
O
|
A:HOH443
|
4.7
|
38.0
|
1.0
|
|
O
|
A:HOH405
|
4.7
|
30.9
|
1.0
|
|
CA
|
A:CYS94
|
4.7
|
37.5
|
1.0
|
|
HA
|
A:HIS93
|
4.8
|
46.3
|
1.0
|
|
HG1
|
A:THR92
|
4.8
|
63.3
|
1.0
|
|
HB3
|
A:CYS94
|
4.9
|
34.6
|
1.0
|
|
HA
|
A:THR92
|
4.9
|
49.7
|
1.0
|
|
HB3
|
A:HIS93
|
4.9
|
28.9
|
1.0
|
|
HE2
|
A:HIS93
|
5.0
|
43.4
|
1.0
|
|
C
|
A:THR92
|
5.0
|
27.8
|
1.0
|
|
Manganese binding site 3 out
of 8 in 8qzj
Go back to
Manganese Binding Sites List in 8qzj
Manganese binding site 3 out
of 8 in the Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn302
b:56.0
occ:1.00
|
OD1
|
B:ASP114
|
2.0
|
45.3
|
1.0
|
|
O
|
B:HOH441
|
2.0
|
42.7
|
1.0
|
|
O
|
B:HOH419
|
2.1
|
38.5
|
1.0
|
|
O5P
|
B:A3P301
|
2.2
|
42.7
|
1.0
|
|
O
|
B:HOH415
|
2.3
|
27.4
|
1.0
|
|
O
|
B:HOH401
|
2.3
|
48.7
|
1.0
|
|
CG
|
B:ASP114
|
3.0
|
36.1
|
1.0
|
|
O4P
|
B:A3P301
|
3.2
|
26.2
|
1.0
|
|
P2
|
B:A3P301
|
3.3
|
36.5
|
1.0
|
|
OD2
|
B:ASP114
|
3.4
|
36.6
|
1.0
|
|
HG1
|
B:THR92
|
3.5
|
35.9
|
1.0
|
|
HZ3
|
B:LYS161
|
3.6
|
34.9
|
1.0
|
|
HG3
|
B:GLU157
|
3.7
|
59.3
|
1.0
|
|
OE2
|
B:GLU116
|
3.9
|
56.8
|
1.0
|
|
HB3
|
B:GLU157
|
4.0
|
33.0
|
1.0
|
|
OE1
|
B:GLU157
|
4.0
|
66.1
|
1.0
|
|
H
|
B:ALA115
|
4.1
|
33.9
|
1.0
|
|
HG2
|
B:GLU116
|
4.1
|
55.9
|
1.0
|
|
OG1
|
B:THR92
|
4.1
|
29.8
|
1.0
|
|
O
|
B:HOH493
|
4.2
|
90.7
|
1.0
|
|
O6P
|
B:A3P301
|
4.2
|
58.2
|
1.0
|
|
O
|
B:ALA115
|
4.3
|
27.5
|
1.0
|
|
CB
|
B:ASP114
|
4.3
|
38.6
|
1.0
|
|
CG
|
B:GLU157
|
4.4
|
49.3
|
1.0
|
|
HB2
|
B:GLU157
|
4.4
|
33.0
|
1.0
|
|
NZ
|
B:LYS161
|
4.4
|
28.9
|
1.0
|
|
HA
|
B:ASP114
|
4.4
|
47.6
|
1.0
|
|
HB2
|
B:ASP114
|
4.5
|
46.5
|
1.0
|
|
CB
|
B:GLU157
|
4.5
|
27.4
|
1.0
|
|
HZ1
|
B:LYS161
|
4.5
|
34.9
|
1.0
|
|
O5'
|
B:A3P301
|
4.5
|
32.4
|
1.0
|
|
HE3
|
B:LYS161
|
4.5
|
41.5
|
1.0
|
|
HE2
|
B:PHE153
|
4.7
|
42.1
|
1.0
|
|
CD
|
B:GLU157
|
4.7
|
52.7
|
1.0
|
|
CD
|
B:GLU116
|
4.7
|
61.5
|
1.0
|
|
N
|
B:ALA115
|
4.8
|
28.1
|
1.0
|
|
O
|
B:HOH516
|
4.8
|
63.0
|
1.0
|
|
CG
|
B:GLU116
|
4.8
|
46.5
|
1.0
|
|
CA
|
B:ASP114
|
4.9
|
39.5
|
1.0
|
|
CE
|
B:LYS161
|
5.0
|
34.5
|
1.0
|
|
Manganese binding site 4 out
of 8 in 8qzj
Go back to
Manganese Binding Sites List in 8qzj
Manganese binding site 4 out
of 8 in the Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn303
b:47.3
occ:1.00
|
O
|
B:HOH456
|
2.0
|
44.3
|
1.0
|
|
O
|
B:HIS93
|
2.1
|
61.8
|
1.0
|
|
O6P
|
B:A3P301
|
2.1
|
58.2
|
1.0
|
|
ND1
|
B:HIS93
|
2.2
|
44.9
|
1.0
|
|
O
|
B:HOH467
|
2.2
|
31.1
|
1.0
|
|
O
|
B:HOH493
|
2.4
|
90.7
|
1.0
|
|
CE1
|
B:HIS93
|
2.9
|
41.8
|
1.0
|
|
HE1
|
B:HIS93
|
3.0
|
50.2
|
1.0
|
|
H
|
B:HIS93
|
3.0
|
44.4
|
1.0
|
|
C
|
B:HIS93
|
3.2
|
31.2
|
1.0
|
|
CG
|
B:HIS93
|
3.3
|
48.7
|
1.0
|
|
P2
|
B:A3P301
|
3.4
|
36.5
|
1.0
|
|
O4P
|
B:A3P301
|
3.6
|
26.2
|
1.0
|
|
H5'1
|
B:A3P301
|
3.7
|
28.7
|
1.0
|
|
N
|
B:HIS93
|
3.7
|
36.9
|
1.0
|
|
CA
|
B:HIS93
|
3.7
|
54.8
|
1.0
|
|
HB2
|
B:HIS93
|
3.8
|
31.1
|
1.0
|
|
CB
|
B:HIS93
|
3.8
|
25.8
|
1.0
|
|
O
|
B:HOH516
|
4.0
|
63.0
|
1.0
|
|
HA
|
B:CYS94
|
4.1
|
30.9
|
1.0
|
|
NE2
|
B:HIS93
|
4.1
|
41.1
|
1.0
|
|
OE1
|
B:GLU51
|
4.2
|
57.7
|
1.0
|
|
OE2
|
B:GLU51
|
4.2
|
34.0
|
1.0
|
|
N
|
B:CYS94
|
4.3
|
29.8
|
1.0
|
|
CD
|
B:GLU51
|
4.3
|
46.0
|
1.0
|
|
CD2
|
B:HIS93
|
4.3
|
37.0
|
1.0
|
|
O5P
|
B:A3P301
|
4.4
|
42.7
|
1.0
|
|
O5'
|
B:A3P301
|
4.4
|
32.4
|
1.0
|
|
C5'
|
B:A3P301
|
4.5
|
23.8
|
1.0
|
|
O
|
B:HOH508
|
4.6
|
41.3
|
1.0
|
|
O
|
B:HOH415
|
4.7
|
27.4
|
1.0
|
|
HA
|
B:HIS93
|
4.7
|
65.9
|
1.0
|
|
CA
|
B:CYS94
|
4.7
|
25.7
|
1.0
|
|
O
|
A:HOH507
|
4.8
|
52.1
|
1.0
|
|
HB3
|
B:HIS93
|
4.8
|
31.1
|
1.0
|
|
H5'2
|
B:A3P301
|
4.8
|
28.7
|
1.0
|
|
HA
|
B:THR92
|
4.8
|
34.6
|
1.0
|
|
HE2
|
B:HIS93
|
4.9
|
49.5
|
1.0
|
|
O
|
B:HOH419
|
4.9
|
38.5
|
1.0
|
|
HB3
|
B:CYS94
|
4.9
|
36.1
|
1.0
|
|
C
|
B:THR92
|
4.9
|
32.5
|
1.0
|
|
Manganese binding site 5 out
of 8 in 8qzj
Go back to
Manganese Binding Sites List in 8qzj
Manganese binding site 5 out
of 8 in the Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn302
b:54.3
occ:1.00
|
O
|
C:HOH434
|
1.9
|
36.7
|
1.0
|
|
O
|
C:HOH411
|
2.0
|
39.2
|
1.0
|
|
OD1
|
C:ASP114
|
2.1
|
51.4
|
1.0
|
|
O
|
C:HOH451
|
2.2
|
36.3
|
1.0
|
|
O
|
C:HOH409
|
2.2
|
30.3
|
1.0
|
|
O5P
|
C:A3P301
|
2.2
|
40.3
|
1.0
|
|
CG
|
C:ASP114
|
3.1
|
40.1
|
1.0
|
|
OD2
|
C:ASP114
|
3.4
|
49.6
|
1.0
|
|
P2
|
C:A3P301
|
3.4
|
37.2
|
1.0
|
|
HG1
|
C:THR92
|
3.5
|
35.8
|
1.0
|
|
OE2
|
C:GLU116
|
3.6
|
48.4
|
1.0
|
|
O4P
|
C:A3P301
|
3.6
|
36.2
|
1.0
|
|
HZ1
|
C:LYS161
|
3.7
|
37.7
|
1.0
|
|
HG3
|
C:GLU157
|
3.7
|
69.3
|
1.0
|
|
HG2
|
C:GLU116
|
3.8
|
40.4
|
1.0
|
|
OE1
|
C:GLU157
|
3.8
|
74.4
|
1.0
|
|
H
|
C:ALA115
|
3.9
|
27.6
|
1.0
|
|
O
|
C:HOH454
|
4.0
|
35.3
|
1.0
|
|
HB3
|
C:GLU157
|
4.0
|
47.6
|
1.0
|
|
OG1
|
C:THR92
|
4.0
|
29.7
|
1.0
|
|
O
|
C:ALA115
|
4.1
|
35.6
|
1.0
|
|
O6P
|
C:A3P301
|
4.1
|
54.0
|
1.0
|
|
CG
|
C:GLU157
|
4.4
|
57.7
|
1.0
|
|
HA
|
C:ASP114
|
4.4
|
28.2
|
1.0
|
|
CD
|
C:GLU116
|
4.4
|
42.5
|
1.0
|
|
CB
|
C:ASP114
|
4.4
|
30.7
|
1.0
|
|
HB2
|
C:GLU157
|
4.4
|
47.6
|
1.0
|
|
NZ
|
C:LYS161
|
4.5
|
31.3
|
1.0
|
|
CB
|
C:GLU157
|
4.5
|
39.6
|
1.0
|
|
CG
|
C:GLU116
|
4.5
|
33.6
|
1.0
|
|
HZ2
|
C:LYS161
|
4.5
|
37.7
|
1.0
|
|
CD
|
C:GLU157
|
4.6
|
69.5
|
1.0
|
|
HE2
|
C:PHE153
|
4.6
|
50.8
|
1.0
|
|
HB2
|
C:ASP114
|
4.6
|
36.9
|
1.0
|
|
N
|
C:ALA115
|
4.6
|
22.9
|
1.0
|
|
HE3
|
C:LYS161
|
4.7
|
33.7
|
1.0
|
|
O5'
|
C:A3P301
|
4.7
|
39.1
|
1.0
|
|
HG3
|
C:GLU116
|
4.7
|
40.4
|
1.0
|
|
CA
|
C:ASP114
|
4.9
|
23.4
|
1.0
|
|
O
|
C:HOH474
|
4.9
|
40.9
|
1.0
|
|
C
|
C:ALA115
|
5.0
|
27.2
|
1.0
|
|
Manganese binding site 6 out
of 8 in 8qzj
Go back to
Manganese Binding Sites List in 8qzj
Manganese binding site 6 out
of 8 in the Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn303
b:166.3
occ:1.00
|
O6P
|
C:A3P301
|
2.0
|
54.0
|
1.0
|
|
O
|
C:HIS93
|
2.1
|
60.5
|
1.0
|
|
O
|
C:HOH464
|
2.1
|
50.1
|
1.0
|
|
O
|
C:HOH424
|
2.2
|
36.9
|
1.0
|
|
ND1
|
C:HIS93
|
2.3
|
26.6
|
1.0
|
|
O
|
C:HOH454
|
2.3
|
35.3
|
1.0
|
|
HE1
|
C:HIS93
|
3.0
|
33.0
|
1.0
|
|
CE1
|
C:HIS93
|
3.0
|
27.3
|
1.0
|
|
H
|
C:HIS93
|
3.0
|
49.2
|
1.0
|
|
P2
|
C:A3P301
|
3.2
|
37.2
|
1.0
|
|
C
|
C:HIS93
|
3.2
|
28.2
|
1.0
|
|
O4P
|
C:A3P301
|
3.3
|
36.2
|
1.0
|
|
CG
|
C:HIS93
|
3.4
|
41.7
|
1.0
|
|
N
|
C:HIS93
|
3.7
|
40.9
|
1.0
|
|
H5'1
|
C:A3P301
|
3.7
|
34.4
|
1.0
|
|
CA
|
C:HIS93
|
3.8
|
41.1
|
1.0
|
|
CB
|
C:HIS93
|
4.0
|
31.0
|
1.0
|
|
HB2
|
C:HIS93
|
4.0
|
37.4
|
1.0
|
|
NE2
|
C:HIS93
|
4.2
|
43.7
|
1.0
|
|
O5'
|
C:A3P301
|
4.2
|
39.1
|
1.0
|
|
HA
|
C:CYS94
|
4.2
|
39.1
|
1.0
|
|
O5P
|
C:A3P301
|
4.2
|
40.3
|
1.0
|
|
N
|
C:CYS94
|
4.4
|
39.0
|
1.0
|
|
C5'
|
C:A3P301
|
4.4
|
28.5
|
1.0
|
|
OE2
|
C:GLU51
|
4.4
|
47.8
|
1.0
|
|
OE1
|
C:GLU51
|
4.4
|
40.4
|
1.0
|
|
CD2
|
C:HIS93
|
4.4
|
33.4
|
1.0
|
|
CD
|
C:GLU51
|
4.5
|
63.7
|
1.0
|
|
O
|
C:HOH449
|
4.6
|
57.2
|
1.0
|
|
O
|
C:HOH411
|
4.6
|
39.2
|
1.0
|
|
H5'2
|
C:A3P301
|
4.7
|
34.4
|
1.0
|
|
O
|
C:HOH451
|
4.7
|
36.3
|
1.0
|
|
HA
|
C:HIS93
|
4.7
|
49.5
|
1.0
|
|
HA
|
C:THR92
|
4.7
|
33.6
|
1.0
|
|
CA
|
C:CYS94
|
4.8
|
32.5
|
1.0
|
|
O
|
C:HOH472
|
4.8
|
47.6
|
1.0
|
|
HG1
|
C:THR92
|
4.8
|
35.8
|
1.0
|
|
HE2
|
C:HIS93
|
4.9
|
52.5
|
1.0
|
|
C
|
C:THR92
|
4.9
|
22.1
|
1.0
|
|
HB3
|
C:HIS93
|
4.9
|
37.4
|
1.0
|
|
HB3
|
C:CYS94
|
4.9
|
40.2
|
1.0
|
|
Manganese binding site 7 out
of 8 in 8qzj
Go back to
Manganese Binding Sites List in 8qzj
Manganese binding site 7 out
of 8 in the Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn302
b:83.9
occ:1.00
|
O
|
D:HOH414
|
1.8
|
74.3
|
1.0
|
|
OD1
|
D:ASP114
|
2.0
|
64.9
|
1.0
|
|
O
|
D:HOH408
|
2.0
|
73.1
|
1.0
|
|
O
|
D:HOH421
|
2.1
|
68.9
|
1.0
|
|
O
|
D:HOH413
|
2.1
|
109.2
|
1.0
|
|
O5P
|
D:A3P301
|
2.9
|
21.1
|
1.0
|
|
CG
|
D:ASP114
|
2.9
|
46.0
|
1.0
|
|
OD2
|
D:ASP114
|
3.1
|
57.6
|
1.0
|
|
HG2
|
D:GLU116
|
3.2
|
57.8
|
1.0
|
|
OE2
|
D:GLU116
|
3.4
|
59.8
|
1.0
|
|
OE2
|
D:GLU157
|
3.7
|
54.6
|
1.0
|
|
HG3
|
D:GLU157
|
3.7
|
59.5
|
1.0
|
|
O4P
|
D:A3P301
|
3.8
|
30.1
|
1.0
|
|
O
|
D:ALA115
|
3.8
|
35.6
|
1.0
|
|
P2
|
D:A3P301
|
3.9
|
48.1
|
1.0
|
|
CG
|
D:GLU116
|
3.9
|
48.0
|
1.0
|
|
CD
|
D:GLU116
|
3.9
|
52.7
|
1.0
|
|
H
|
D:ALA115
|
4.0
|
33.7
|
1.0
|
|
HG1
|
D:THR92
|
4.0
|
33.3
|
1.0
|
|
HG3
|
D:GLU116
|
4.0
|
57.8
|
1.0
|
|
HB3
|
D:GLU157
|
4.1
|
42.7
|
1.0
|
|
O
|
D:HOH424
|
4.2
|
32.5
|
1.0
|
|
CB
|
D:ASP114
|
4.3
|
29.5
|
1.0
|
|
HE2
|
D:PHE153
|
4.3
|
51.9
|
1.0
|
|
CG
|
D:GLU157
|
4.3
|
49.5
|
1.0
|
|
HB2
|
D:GLU157
|
4.4
|
42.7
|
1.0
|
|
CD
|
D:GLU157
|
4.4
|
56.8
|
1.0
|
|
OG1
|
D:THR92
|
4.5
|
27.6
|
1.0
|
|
HA
|
D:ASP114
|
4.5
|
35.9
|
1.0
|
|
CB
|
D:GLU157
|
4.5
|
35.4
|
1.0
|
|
HZ1
|
D:LYS161
|
4.5
|
34.1
|
1.0
|
|
HB2
|
D:ASP114
|
4.6
|
35.6
|
1.0
|
|
N
|
D:ALA115
|
4.6
|
28.0
|
1.0
|
|
O6P
|
D:A3P301
|
4.6
|
39.7
|
1.0
|
|
C
|
D:ALA115
|
4.7
|
38.6
|
1.0
|
|
HZ2
|
D:LYS161
|
4.7
|
34.1
|
1.0
|
|
HG
|
D:CYS154
|
4.8
|
62.4
|
1.0
|
|
CA
|
D:ASP114
|
4.9
|
29.8
|
1.0
|
|
HB3
|
D:ASP114
|
4.9
|
35.6
|
1.0
|
|
OE1
|
D:GLU116
|
4.9
|
65.0
|
1.0
|
|
HA
|
D:CYS154
|
4.9
|
43.3
|
1.0
|
|
CE2
|
D:PHE153
|
5.0
|
43.1
|
1.0
|
|
Manganese binding site 8 out
of 8 in 8qzj
Go back to
Manganese Binding Sites List in 8qzj
Manganese binding site 8 out
of 8 in the Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Crystal Structure of Pptt-Adp From Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn303
b:59.2
occ:1.00
|
O6P
|
D:A3P301
|
2.1
|
39.7
|
1.0
|
|
O
|
D:HOH468
|
2.1
|
36.5
|
1.0
|
|
O
|
D:HOH441
|
2.1
|
45.9
|
1.0
|
|
O
|
D:HIS93
|
2.1
|
44.9
|
1.0
|
|
O
|
D:HOH424
|
2.1
|
32.5
|
1.0
|
|
ND1
|
D:HIS93
|
2.3
|
30.8
|
1.0
|
|
H
|
D:HIS93
|
3.0
|
44.4
|
1.0
|
|
CE1
|
D:HIS93
|
3.1
|
25.7
|
1.0
|
|
HE1
|
D:HIS93
|
3.2
|
30.9
|
1.0
|
|
C
|
D:HIS93
|
3.2
|
31.5
|
1.0
|
|
P2
|
D:A3P301
|
3.3
|
48.1
|
1.0
|
|
O4P
|
D:A3P301
|
3.4
|
30.1
|
1.0
|
|
CG
|
D:HIS93
|
3.4
|
23.6
|
1.0
|
|
H5'1
|
D:A3P301
|
3.6
|
27.1
|
1.0
|
|
N
|
D:HIS93
|
3.7
|
36.9
|
1.0
|
|
CA
|
D:HIS93
|
3.7
|
32.6
|
1.0
|
|
HB2
|
D:HIS93
|
3.8
|
30.5
|
1.0
|
|
CB
|
D:HIS93
|
3.9
|
25.3
|
1.0
|
|
HA
|
D:CYS94
|
4.1
|
56.7
|
1.0
|
|
OE2
|
D:GLU51
|
4.1
|
39.1
|
1.0
|
|
O5'
|
D:A3P301
|
4.2
|
22.0
|
1.0
|
|
NE2
|
D:HIS93
|
4.3
|
30.4
|
1.0
|
|
N
|
D:CYS94
|
4.3
|
38.2
|
1.0
|
|
C5'
|
D:A3P301
|
4.3
|
22.4
|
1.0
|
|
O5P
|
D:A3P301
|
4.3
|
21.1
|
1.0
|
|
O
|
D:HOH514
|
4.3
|
55.9
|
1.0
|
|
OE1
|
D:GLU51
|
4.4
|
36.2
|
1.0
|
|
CD2
|
D:HIS93
|
4.4
|
31.4
|
1.0
|
|
CD
|
D:GLU51
|
4.5
|
44.6
|
1.0
|
|
O
|
D:HOH408
|
4.5
|
73.1
|
1.0
|
|
H5'2
|
D:A3P301
|
4.7
|
27.1
|
1.0
|
|
CA
|
D:CYS94
|
4.7
|
47.1
|
1.0
|
|
HA
|
D:HIS93
|
4.7
|
39.2
|
1.0
|
|
HA
|
D:THR92
|
4.8
|
31.0
|
1.0
|
|
HB3
|
D:HIS93
|
4.8
|
30.5
|
1.0
|
|
HB3
|
D:CYS94
|
4.8
|
31.6
|
1.0
|
|
O
|
D:HOH413
|
4.9
|
109.2
|
1.0
|
|
C
|
D:THR92
|
4.9
|
30.7
|
1.0
|
|
O
|
D:HOH432
|
5.0
|
37.4
|
1.0
|
|
Reference:
S.Gavalda,
A.Faille,
S.Fioccola,
M.C.Nguyen,
C.Carivenc,
K.Rottier,
Y.Rufin,
S.Saitta,
G.Czaplicki,
C.Guilhot,
C.Chalut,
M.Brut,
L.Mourey,
J.D.Pedelacq.
Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases Acs Catalysis V. 14 8561 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.3C06249
Page generated: Sun Oct 6 13:45:12 2024
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