Sodium in PDB 2gta: Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428.
Protein crystallography data
The structure of Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428., PDB code: 2gta
was solved by
S.M.Vorobiev,
W.Zhou,
J.Seetharaman,
D.Wang,
L.C.Ma,
T.Acton,
R.Xio,
G.T.Montelione,
L.Tong,
J.F.Hunt,
Northeast Structural Genomicsconsortium (Nesg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.89 /
2.90
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.747,
79.694,
119.568,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.5 /
26.3
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428.
(pdb code 2gta). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the
Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428., PDB code: 2gta:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 2gta
Go back to
Sodium Binding Sites List in 2gta
Sodium binding site 1 out
of 4 in the Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na304
b:58.5
occ:1.00
|
OE1
|
A:GLU37
|
2.8
|
46.1
|
1.0
|
O
|
A:HOH463
|
2.8
|
36.3
|
1.0
|
O
|
A:GLU37
|
2.9
|
41.1
|
1.0
|
OE2
|
A:GLU66
|
3.1
|
49.6
|
1.0
|
O
|
A:GLU66
|
3.3
|
44.3
|
1.0
|
CB
|
A:GLU40
|
3.4
|
40.4
|
1.0
|
OE1
|
A:GLU40
|
3.5
|
43.2
|
1.0
|
CB
|
A:ASP69
|
3.6
|
46.5
|
1.0
|
CA
|
A:GLU66
|
3.7
|
46.9
|
1.0
|
C
|
A:GLU37
|
3.7
|
42.6
|
1.0
|
CB
|
A:GLU37
|
3.8
|
43.1
|
1.0
|
CA
|
A:GLU37
|
3.8
|
42.7
|
1.0
|
C
|
A:GLU66
|
3.9
|
44.5
|
1.0
|
CD
|
A:GLU37
|
3.9
|
45.0
|
1.0
|
N
|
A:LEU41
|
3.9
|
35.9
|
1.0
|
CB
|
A:GLU66
|
4.0
|
48.4
|
1.0
|
OD2
|
A:ASP69
|
4.1
|
51.6
|
1.0
|
CG
|
A:GLU40
|
4.1
|
40.7
|
1.0
|
CD
|
A:GLU66
|
4.2
|
51.9
|
1.0
|
CG
|
A:ASP69
|
4.3
|
50.9
|
1.0
|
CD
|
A:GLU40
|
4.3
|
43.5
|
1.0
|
C
|
A:GLU40
|
4.4
|
38.6
|
1.0
|
CG
|
A:GLU37
|
4.4
|
43.9
|
1.0
|
CA
|
A:GLU40
|
4.4
|
39.6
|
1.0
|
CA
|
A:LEU41
|
4.5
|
33.1
|
1.0
|
CB
|
A:LEU41
|
4.6
|
31.2
|
1.0
|
CG2
|
A:VAL70
|
4.7
|
38.6
|
1.0
|
CG
|
A:GLU66
|
4.7
|
50.9
|
1.0
|
N
|
A:GLU40
|
4.8
|
40.3
|
1.0
|
O
|
A:GLU65
|
4.9
|
53.9
|
1.0
|
CA
|
A:ASP69
|
4.9
|
44.4
|
1.0
|
N
|
A:GLU66
|
4.9
|
49.3
|
1.0
|
OE2
|
A:GLU37
|
4.9
|
45.0
|
1.0
|
N
|
A:VAL70
|
5.0
|
41.9
|
1.0
|
|
Sodium binding site 2 out
of 4 in 2gta
Go back to
Sodium Binding Sites List in 2gta
Sodium binding site 2 out
of 4 in the Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na302
b:42.5
occ:1.00
|
OE1
|
B:GLU37
|
2.7
|
50.3
|
1.0
|
OE1
|
B:GLU40
|
2.8
|
52.0
|
1.0
|
OE2
|
B:GLU66
|
3.0
|
58.8
|
1.0
|
OD2
|
B:ASP69
|
3.1
|
53.6
|
1.0
|
O
|
B:GLU37
|
3.2
|
47.1
|
1.0
|
O
|
B:GLU66
|
3.3
|
49.6
|
1.0
|
CB
|
B:ASP69
|
3.3
|
49.9
|
1.0
|
CB
|
B:GLU40
|
3.6
|
42.3
|
1.0
|
CD
|
B:GLU40
|
3.7
|
52.0
|
1.0
|
CG
|
B:ASP69
|
3.7
|
52.6
|
1.0
|
CA
|
B:GLU66
|
3.7
|
50.6
|
1.0
|
CB
|
B:GLU37
|
3.8
|
47.6
|
1.0
|
CD
|
B:GLU37
|
3.8
|
51.6
|
1.0
|
CA
|
B:GLU37
|
3.9
|
48.0
|
1.0
|
C
|
B:GLU37
|
3.9
|
47.5
|
1.0
|
C
|
B:GLU66
|
3.9
|
49.3
|
1.0
|
CG
|
B:GLU40
|
3.9
|
47.6
|
1.0
|
CB
|
B:GLU66
|
4.0
|
51.8
|
1.0
|
CD
|
B:GLU66
|
4.1
|
57.6
|
1.0
|
N
|
B:LEU41
|
4.2
|
36.0
|
1.0
|
CG
|
B:GLU37
|
4.4
|
49.5
|
1.0
|
CG2
|
B:VAL70
|
4.4
|
43.3
|
1.0
|
C
|
B:GLU40
|
4.5
|
37.7
|
1.0
|
CA
|
B:ASP69
|
4.6
|
48.2
|
1.0
|
CA
|
B:GLU40
|
4.6
|
39.7
|
1.0
|
CG
|
B:GLU66
|
4.6
|
55.9
|
1.0
|
CA
|
B:LEU41
|
4.7
|
33.0
|
1.0
|
OE2
|
B:GLU40
|
4.7
|
53.8
|
1.0
|
CB
|
B:LEU41
|
4.8
|
30.5
|
1.0
|
N
|
B:VAL70
|
4.8
|
47.0
|
1.0
|
OE2
|
B:GLU37
|
4.8
|
55.0
|
1.0
|
OD1
|
B:ASP69
|
4.9
|
54.9
|
1.0
|
C
|
B:ASP69
|
4.9
|
48.5
|
1.0
|
N
|
B:GLU66
|
4.9
|
51.8
|
1.0
|
N
|
B:ASP69
|
5.0
|
46.6
|
1.0
|
|
Sodium binding site 3 out
of 4 in 2gta
Go back to
Sodium Binding Sites List in 2gta
Sodium binding site 3 out
of 4 in the Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na303
b:57.1
occ:1.00
|
OE1
|
C:GLU37
|
2.9
|
53.1
|
1.0
|
OE1
|
C:GLU66
|
3.0
|
44.8
|
1.0
|
OD2
|
C:ASP69
|
3.0
|
51.4
|
1.0
|
OE1
|
C:GLU40
|
3.1
|
52.3
|
1.0
|
O
|
C:GLU37
|
3.3
|
44.7
|
1.0
|
CD
|
C:GLU66
|
3.3
|
46.6
|
1.0
|
O
|
C:GLU66
|
3.4
|
47.7
|
1.0
|
CB
|
C:ASP69
|
3.5
|
46.2
|
1.0
|
CB
|
C:GLU40
|
3.5
|
43.7
|
1.0
|
CA
|
C:GLU66
|
3.5
|
46.2
|
1.0
|
OE2
|
C:GLU66
|
3.7
|
48.1
|
1.0
|
CG
|
C:ASP69
|
3.7
|
50.0
|
1.0
|
CB
|
C:GLU66
|
3.8
|
45.5
|
1.0
|
C
|
C:GLU66
|
3.9
|
46.0
|
1.0
|
CB
|
C:GLU37
|
3.9
|
44.8
|
1.0
|
CA
|
C:GLU37
|
3.9
|
44.0
|
1.0
|
CD
|
C:GLU37
|
4.0
|
52.8
|
1.0
|
C
|
C:GLU37
|
4.1
|
44.0
|
1.0
|
CD
|
C:GLU40
|
4.1
|
50.2
|
1.0
|
CG
|
C:GLU66
|
4.1
|
46.5
|
1.0
|
CG
|
C:GLU40
|
4.2
|
47.7
|
1.0
|
N
|
C:LEU41
|
4.2
|
42.9
|
1.0
|
CG
|
C:GLU37
|
4.5
|
50.0
|
1.0
|
C
|
C:GLU40
|
4.5
|
43.2
|
1.0
|
CA
|
C:GLU40
|
4.6
|
42.5
|
1.0
|
CG2
|
C:VAL70
|
4.7
|
37.0
|
1.0
|
N
|
C:GLU66
|
4.8
|
47.6
|
1.0
|
CA
|
C:ASP69
|
4.8
|
44.8
|
1.0
|
CA
|
C:LEU41
|
4.8
|
42.8
|
1.0
|
O
|
C:GLU65
|
4.9
|
47.9
|
1.0
|
CB
|
C:LEU41
|
4.9
|
40.8
|
1.0
|
OE2
|
C:GLU37
|
4.9
|
55.1
|
1.0
|
OD1
|
C:ASP69
|
4.9
|
52.4
|
1.0
|
N
|
C:VAL70
|
5.0
|
42.9
|
1.0
|
|
Sodium binding site 4 out
of 4 in 2gta
Go back to
Sodium Binding Sites List in 2gta
Sodium binding site 4 out
of 4 in the Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. Northeast Structural Genomics Consortium Target SR428. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na301
b:48.3
occ:1.00
|
OE1
|
D:GLU40
|
2.7
|
51.1
|
1.0
|
OE1
|
D:GLU37
|
2.8
|
48.5
|
1.0
|
OD2
|
D:ASP69
|
3.0
|
57.9
|
1.0
|
OE1
|
D:GLU66
|
3.2
|
66.4
|
1.0
|
CG
|
D:ASP69
|
3.5
|
54.3
|
1.0
|
CD
|
D:GLU66
|
3.5
|
64.3
|
1.0
|
OE2
|
D:GLU66
|
3.5
|
66.2
|
1.0
|
CD
|
D:GLU40
|
3.6
|
51.1
|
1.0
|
CB
|
D:ASP69
|
3.6
|
49.5
|
1.0
|
CB
|
D:GLU40
|
3.7
|
43.8
|
1.0
|
CD
|
D:GLU37
|
3.8
|
48.5
|
1.0
|
CA
|
D:GLU66
|
4.1
|
56.1
|
1.0
|
CG
|
D:GLU40
|
4.2
|
48.8
|
1.0
|
OE2
|
D:GLU40
|
4.3
|
53.4
|
1.0
|
OE2
|
D:GLU37
|
4.3
|
49.1
|
1.0
|
OD1
|
D:ASP69
|
4.4
|
57.5
|
1.0
|
CB
|
D:GLU66
|
4.5
|
57.2
|
1.0
|
CG
|
D:GLU66
|
4.6
|
61.5
|
1.0
|
O
|
D:GLU66
|
4.6
|
54.0
|
1.0
|
O
|
D:GLU37
|
4.8
|
41.6
|
1.0
|
C
|
D:GLU66
|
4.8
|
54.3
|
1.0
|
CB
|
D:GLU37
|
4.9
|
43.9
|
1.0
|
O
|
D:GLU65
|
4.9
|
59.9
|
1.0
|
CA
|
D:GLU37
|
4.9
|
42.2
|
1.0
|
CG
|
D:GLU37
|
4.9
|
47.2
|
1.0
|
CA
|
D:GLU40
|
5.0
|
43.1
|
1.0
|
N
|
D:GLU66
|
5.0
|
57.6
|
1.0
|
|
Reference:
S.M.Vorobiev,
W.Zhou,
J.Seetharaman,
D.Wang,
L.C.Ma,
T.Acton,
R.Xio,
G.T.Montelione,
L.Tong,
J.F.Hunt.
Crystal Structure of the Putative Pyrophosphatase Ypjd From Bacillus Subtilis. To Be Published.
Page generated: Mon Oct 7 02:40:11 2024
|