Sodium in PDB 2fbl: The Crystal Structure of the Hypothetical Protein NE1496
Protein crystallography data
The structure of The Crystal Structure of the Hypothetical Protein NE1496, PDB code: 2fbl
was solved by
V.V.Lunin,
T.Skarina,
O.Onopriyenko,
T.A.Binkowski,
A.Joachimiak,
A.M.Edwards,
A.Savchenko,
Midwest Center For Structural Genomics(Mcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.60 /
1.90
|
Space group
|
P 32 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
52.282,
52.282,
252.484,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
21.7 /
28.2
|
Sodium Binding Sites:
The binding sites of Sodium atom in the The Crystal Structure of the Hypothetical Protein NE1496
(pdb code 2fbl). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 6 binding sites of Sodium where determined in the
The Crystal Structure of the Hypothetical Protein NE1496, PDB code: 2fbl:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
Sodium binding site 1 out
of 6 in 2fbl
Go back to
Sodium Binding Sites List in 2fbl
Sodium binding site 1 out
of 6 in the The Crystal Structure of the Hypothetical Protein NE1496
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of The Crystal Structure of the Hypothetical Protein NE1496 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na301
b:33.5
occ:1.00
|
O
|
A:PHE131
|
2.2
|
27.1
|
1.0
|
O
|
A:HOH334
|
2.3
|
41.0
|
1.0
|
O
|
A:HOH394
|
2.3
|
39.8
|
1.0
|
O
|
A:HOH400
|
2.4
|
48.2
|
1.0
|
O
|
A:PRO129
|
2.5
|
28.9
|
1.0
|
O
|
A:HOH321
|
2.6
|
32.7
|
1.0
|
O
|
A:HOH406
|
3.4
|
37.1
|
1.0
|
C
|
A:PHE131
|
3.5
|
27.4
|
1.0
|
C
|
A:PRO129
|
3.5
|
30.5
|
1.0
|
CA
|
A:PRO129
|
4.1
|
30.8
|
1.0
|
O
|
A:HOH346
|
4.2
|
35.1
|
1.0
|
N
|
A:PHE131
|
4.2
|
24.8
|
1.0
|
CB
|
A:ALA11
|
4.3
|
31.5
|
1.0
|
N
|
A:GLY132
|
4.3
|
28.6
|
1.0
|
CA
|
A:GLY132
|
4.4
|
28.1
|
1.0
|
O
|
A:PRO128
|
4.4
|
29.4
|
1.0
|
CA
|
A:PHE131
|
4.4
|
25.0
|
1.0
|
O
|
A:HOH382
|
4.4
|
34.7
|
1.0
|
C
|
A:TRP130
|
4.5
|
25.8
|
1.0
|
N
|
A:TRP130
|
4.6
|
29.4
|
1.0
|
O
|
A:HOH433
|
4.6
|
49.5
|
1.0
|
CA
|
A:TRP130
|
4.9
|
26.9
|
1.0
|
CB
|
A:PHE131
|
5.0
|
25.3
|
1.0
|
C
|
A:GLY132
|
5.0
|
28.4
|
1.0
|
O
|
A:TRP130
|
5.0
|
25.5
|
1.0
|
|
Sodium binding site 2 out
of 6 in 2fbl
Go back to
Sodium Binding Sites List in 2fbl
Sodium binding site 2 out
of 6 in the The Crystal Structure of the Hypothetical Protein NE1496
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of The Crystal Structure of the Hypothetical Protein NE1496 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na304
b:31.4
occ:1.00
|
O
|
A:SER149
|
2.3
|
32.4
|
1.0
|
O
|
A:ALA147
|
2.3
|
24.0
|
1.0
|
O
|
A:HOH330
|
2.5
|
30.5
|
1.0
|
O
|
A:HOH325
|
2.5
|
27.5
|
1.0
|
O
|
A:GLY79
|
2.6
|
24.8
|
1.0
|
C
|
A:GLY79
|
3.2
|
23.3
|
1.0
|
C
|
A:ALA147
|
3.5
|
25.6
|
1.0
|
C
|
A:SER149
|
3.5
|
34.5
|
1.0
|
O
|
A:HOH424
|
3.7
|
60.6
|
1.0
|
NE2
|
A:HIS105
|
3.8
|
29.5
|
1.0
|
N
|
A:ARG80
|
3.9
|
23.2
|
1.0
|
C
|
A:LEU148
|
3.9
|
31.1
|
1.0
|
CA
|
A:GLY79
|
4.0
|
25.8
|
1.0
|
N
|
A:SER149
|
4.0
|
32.0
|
1.0
|
CA
|
A:ARG80
|
4.1
|
22.4
|
1.0
|
N
|
A:ARG81
|
4.1
|
22.0
|
1.0
|
CA
|
A:LEU148
|
4.2
|
30.2
|
1.0
|
O
|
A:LEU146
|
4.2
|
24.6
|
1.0
|
O
|
A:LEU148
|
4.2
|
30.2
|
1.0
|
O
|
A:ARG81
|
4.2
|
19.8
|
1.0
|
N
|
A:LEU148
|
4.3
|
28.2
|
1.0
|
O
|
A:HOH447
|
4.4
|
35.6
|
1.0
|
CA
|
A:SER149
|
4.4
|
33.0
|
1.0
|
N
|
A:ILE150
|
4.4
|
37.5
|
1.0
|
O
|
A:HOH327
|
4.4
|
41.1
|
1.0
|
CA
|
A:ALA147
|
4.5
|
24.8
|
1.0
|
C
|
A:ARG80
|
4.6
|
22.4
|
1.0
|
CA
|
A:ILE150
|
4.6
|
40.9
|
1.0
|
CE1
|
A:HIS105
|
4.6
|
31.0
|
1.0
|
CD2
|
A:HIS105
|
4.7
|
30.4
|
1.0
|
OG
|
A:SER149
|
4.7
|
32.3
|
1.0
|
CG1
|
A:ILE150
|
4.8
|
44.0
|
1.0
|
N
|
A:GLY79
|
5.0
|
26.2
|
1.0
|
|
Sodium binding site 3 out
of 6 in 2fbl
Go back to
Sodium Binding Sites List in 2fbl
Sodium binding site 3 out
of 6 in the The Crystal Structure of the Hypothetical Protein NE1496
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of The Crystal Structure of the Hypothetical Protein NE1496 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na305
b:40.1
occ:1.00
|
O
|
A:SER107
|
2.3
|
23.6
|
1.0
|
O
|
A:HOH342
|
2.3
|
52.1
|
1.0
|
O
|
A:HOH426
|
2.3
|
57.6
|
1.0
|
O
|
A:HIS105
|
2.5
|
23.3
|
1.0
|
O
|
A:HOH421
|
2.6
|
38.9
|
1.0
|
C
|
A:HIS105
|
3.4
|
23.2
|
1.0
|
C
|
A:SER107
|
3.5
|
22.7
|
1.0
|
CA
|
A:HIS105
|
4.0
|
23.6
|
1.0
|
N
|
A:SER107
|
4.2
|
22.7
|
1.0
|
CA
|
A:SER107
|
4.3
|
22.6
|
1.0
|
C
|
A:LEU106
|
4.4
|
22.7
|
1.0
|
O
|
A:HOH403
|
4.4
|
39.0
|
1.0
|
CD
|
A:PRO108
|
4.4
|
24.5
|
1.0
|
N
|
A:LEU106
|
4.4
|
21.5
|
1.0
|
N
|
A:PRO108
|
4.4
|
23.3
|
1.0
|
O
|
A:GLY104
|
4.5
|
24.6
|
1.0
|
CB
|
A:SER107
|
4.7
|
21.8
|
1.0
|
CA
|
A:LEU106
|
4.7
|
21.6
|
1.0
|
CB
|
A:HIS105
|
4.7
|
25.2
|
1.0
|
O
|
A:LEU106
|
4.8
|
22.7
|
1.0
|
O
|
A:HOH352
|
4.9
|
36.4
|
1.0
|
|
Sodium binding site 4 out
of 6 in 2fbl
Go back to
Sodium Binding Sites List in 2fbl
Sodium binding site 4 out
of 6 in the The Crystal Structure of the Hypothetical Protein NE1496
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of The Crystal Structure of the Hypothetical Protein NE1496 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na302
b:32.9
occ:1.00
|
O
|
B:HOH330
|
2.2
|
30.4
|
1.0
|
O
|
B:PHE131
|
2.2
|
27.6
|
1.0
|
O
|
B:HOH332
|
2.2
|
41.0
|
1.0
|
O
|
B:HOH446
|
2.3
|
47.1
|
1.0
|
O
|
B:HOH398
|
2.3
|
39.1
|
1.0
|
O
|
B:PRO129
|
2.6
|
31.3
|
1.0
|
C
|
B:PHE131
|
3.5
|
28.7
|
1.0
|
C
|
B:PRO129
|
3.6
|
30.5
|
1.0
|
O
|
B:HOH334
|
4.0
|
32.5
|
1.0
|
CA
|
B:PRO129
|
4.1
|
30.8
|
1.0
|
N
|
B:PHE131
|
4.2
|
25.7
|
1.0
|
O
|
B:HOH386
|
4.3
|
35.2
|
1.0
|
O
|
B:PRO128
|
4.3
|
31.7
|
1.0
|
CB
|
B:ALA11
|
4.4
|
31.6
|
1.0
|
N
|
B:GLY132
|
4.4
|
29.6
|
1.0
|
CA
|
B:GLY132
|
4.4
|
30.2
|
1.0
|
CA
|
B:PHE131
|
4.4
|
26.4
|
1.0
|
O
|
B:HOH408
|
4.5
|
48.9
|
1.0
|
C
|
B:TRP130
|
4.6
|
26.3
|
1.0
|
N
|
B:TRP130
|
4.7
|
29.4
|
1.0
|
CB
|
B:PHE131
|
4.9
|
26.3
|
1.0
|
C
|
B:GLY132
|
5.0
|
31.0
|
1.0
|
|
Sodium binding site 5 out
of 6 in 2fbl
Go back to
Sodium Binding Sites List in 2fbl
Sodium binding site 5 out
of 6 in the The Crystal Structure of the Hypothetical Protein NE1496
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of The Crystal Structure of the Hypothetical Protein NE1496 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na303
b:30.8
occ:1.00
|
O
|
B:ALA147
|
2.2
|
24.5
|
1.0
|
O
|
B:SER149
|
2.3
|
31.1
|
1.0
|
O
|
B:HOH319
|
2.3
|
28.5
|
1.0
|
O
|
B:HOH323
|
2.5
|
26.2
|
1.0
|
O
|
B:GLY79
|
2.6
|
24.5
|
1.0
|
C
|
B:GLY79
|
3.2
|
23.6
|
1.0
|
C
|
B:ALA147
|
3.4
|
25.2
|
1.0
|
C
|
B:SER149
|
3.6
|
33.7
|
1.0
|
NE2
|
B:HIS105
|
3.8
|
29.7
|
1.0
|
N
|
B:ARG80
|
3.9
|
23.9
|
1.0
|
N
|
B:ARG81
|
3.9
|
22.1
|
1.0
|
CA
|
B:ARG80
|
4.0
|
22.7
|
1.0
|
CA
|
B:GLY79
|
4.0
|
25.4
|
1.0
|
C
|
B:LEU148
|
4.0
|
29.8
|
1.0
|
N
|
B:SER149
|
4.1
|
30.9
|
1.0
|
O
|
B:ARG81
|
4.1
|
19.0
|
1.0
|
O
|
B:LEU146
|
4.2
|
25.4
|
1.0
|
CA
|
B:LEU148
|
4.2
|
29.6
|
1.0
|
N
|
B:LEU148
|
4.2
|
27.3
|
1.0
|
O
|
B:LEU148
|
4.3
|
28.7
|
1.0
|
CA
|
B:ALA147
|
4.4
|
24.9
|
1.0
|
C
|
B:ARG80
|
4.4
|
22.8
|
1.0
|
CA
|
B:SER149
|
4.5
|
32.0
|
1.0
|
O
|
B:HOH349
|
4.5
|
38.8
|
1.0
|
N
|
B:ILE150
|
4.5
|
36.5
|
1.0
|
CE1
|
B:HIS105
|
4.6
|
30.0
|
1.0
|
CA
|
B:ILE150
|
4.7
|
40.2
|
1.0
|
CD2
|
B:HIS105
|
4.7
|
27.6
|
1.0
|
OG
|
B:SER149
|
4.8
|
30.0
|
1.0
|
N
|
B:GLY79
|
5.0
|
25.3
|
1.0
|
C
|
B:ARG81
|
5.0
|
19.8
|
1.0
|
|
Sodium binding site 6 out
of 6 in 2fbl
Go back to
Sodium Binding Sites List in 2fbl
Sodium binding site 6 out
of 6 in the The Crystal Structure of the Hypothetical Protein NE1496
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of The Crystal Structure of the Hypothetical Protein NE1496 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na306
b:37.3
occ:1.00
|
O
|
B:SER107
|
2.3
|
23.2
|
1.0
|
O
|
B:HOH352
|
2.4
|
54.7
|
1.0
|
O
|
B:HOH415
|
2.5
|
49.4
|
1.0
|
O
|
B:HIS105
|
2.5
|
22.3
|
1.0
|
O
|
B:HOH444
|
2.8
|
36.8
|
1.0
|
C
|
B:HIS105
|
3.4
|
23.8
|
1.0
|
C
|
B:SER107
|
3.5
|
22.0
|
1.0
|
CA
|
B:HIS105
|
4.0
|
24.1
|
1.0
|
N
|
B:SER107
|
4.1
|
22.9
|
1.0
|
CA
|
B:SER107
|
4.3
|
21.8
|
1.0
|
C
|
B:LEU106
|
4.3
|
22.6
|
1.0
|
CD
|
B:PRO108
|
4.3
|
23.7
|
1.0
|
N
|
B:LEU106
|
4.4
|
20.9
|
1.0
|
O
|
B:HOH454
|
4.4
|
38.7
|
1.0
|
N
|
B:PRO108
|
4.4
|
22.7
|
1.0
|
O
|
B:GLY104
|
4.5
|
25.6
|
1.0
|
CA
|
B:LEU106
|
4.6
|
21.8
|
1.0
|
CB
|
B:SER107
|
4.7
|
23.0
|
1.0
|
O
|
B:LEU106
|
4.7
|
21.9
|
1.0
|
CB
|
B:HIS105
|
4.7
|
25.6
|
1.0
|
O
|
B:HOH400
|
4.9
|
40.4
|
1.0
|
|
Reference:
V.V.Lunin,
T.Skarina,
O.Onopriyenko,
T.A.Binkowski,
A.Joachimiak,
A.M.Edwards,
A.Savchenko.
The Crystal Structure of the Hypothetical Protein NE1496 To Be Published.
Page generated: Mon Oct 7 02:26:46 2024
|