Sodium in PDB 5ns9: Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate
Protein crystallography data
The structure of Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate, PDB code: 5ns9
was solved by
C.Eibl,
A.J.R.Plested,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.99 /
1.44
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
95.990,
121.297,
47.083,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
14.7 /
20.5
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate
(pdb code 5ns9). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 5 binding sites of Sodium where determined in the
Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate, PDB code: 5ns9:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
Sodium binding site 1 out
of 5 in 5ns9
Go back to
Sodium Binding Sites List in 5ns9
Sodium binding site 1 out
of 5 in the Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate
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 GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na308
b:33.9
occ:1.00
|
OD1
|
A:ASP101
|
2.8
|
15.0
|
1.0
|
HA
|
A:ASP101
|
3.0
|
11.4
|
1.0
|
HE3
|
A:LYS226
|
3.0
|
29.6
|
1.0
|
OE2
|
A:GLU97
|
3.0
|
14.2
|
1.0
|
O
|
B:HOH415
|
3.0
|
35.9
|
1.0
|
O
|
A:GLU97
|
3.1
|
12.0
|
1.0
|
O
|
A:ILE100
|
3.1
|
13.2
|
1.0
|
HG3
|
A:LYS226
|
3.4
|
19.9
|
1.0
|
O
|
A:HOH558
|
3.5
|
50.5
|
1.0
|
O
|
A:HOH791
|
3.5
|
48.2
|
1.0
|
O
|
A:HOH431
|
3.6
|
14.4
|
1.0
|
C
|
A:ILE100
|
3.8
|
11.4
|
1.0
|
HG3
|
A:GLU97
|
3.8
|
12.4
|
1.0
|
CA
|
A:ASP101
|
3.8
|
11.0
|
1.0
|
O
|
A:HOH522
|
3.8
|
25.8
|
1.0
|
CG
|
A:ASP101
|
3.9
|
14.3
|
1.0
|
CE
|
A:LYS226
|
3.9
|
29.8
|
1.0
|
CD
|
A:GLU97
|
4.0
|
13.1
|
1.0
|
N
|
A:ASP101
|
4.1
|
10.6
|
1.0
|
C
|
A:GLU97
|
4.2
|
10.4
|
1.0
|
CG
|
A:LYS226
|
4.2
|
19.9
|
1.0
|
HD2
|
A:LYS226
|
4.3
|
23.7
|
1.0
|
HE2
|
A:LYS226
|
4.4
|
29.8
|
1.0
|
HA
|
A:GLU97
|
4.4
|
11.1
|
1.0
|
CB
|
A:ASP101
|
4.4
|
12.0
|
1.0
|
CG
|
A:GLU97
|
4.4
|
12.6
|
1.0
|
CD
|
A:LYS226
|
4.4
|
23.5
|
1.0
|
H
|
A:PHE102
|
4.6
|
11.1
|
1.0
|
O
|
A:HOH752
|
4.7
|
43.3
|
1.0
|
HB3
|
A:ASP101
|
4.7
|
11.5
|
1.0
|
HG2
|
A:LYS226
|
4.7
|
20.2
|
1.0
|
H
|
A:ILE100
|
4.7
|
11.9
|
1.0
|
HA
|
A:LYS226
|
4.7
|
14.3
|
1.0
|
CA
|
A:GLU97
|
4.8
|
10.9
|
1.0
|
O
|
B:HOH642
|
4.8
|
19.3
|
1.0
|
HZ1
|
A:LYS226
|
4.8
|
27.4
|
1.0
|
NZ
|
A:LYS226
|
4.9
|
29.5
|
1.0
|
CA
|
A:ILE100
|
4.9
|
11.0
|
1.0
|
H
|
A:ASP101
|
4.9
|
11.2
|
1.0
|
OE1
|
A:GLU97
|
4.9
|
14.2
|
1.0
|
HZ2
|
A:LYS226
|
4.9
|
29.5
|
1.0
|
O
|
B:HOH465
|
4.9
|
41.8
|
1.0
|
N
|
A:ILE100
|
4.9
|
11.5
|
1.0
|
C
|
A:ASP101
|
5.0
|
11.5
|
1.0
|
OD1
|
B:ASN232
|
5.0
|
47.9
|
0.5
|
|
Sodium binding site 2 out
of 5 in 5ns9
Go back to
Sodium Binding Sites List in 5ns9
Sodium binding site 2 out
of 5 in the Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate
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 GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na309
b:34.6
occ:1.00
|
O
|
B:HOH784
|
2.4
|
25.8
|
1.0
|
O
|
A:HOH656
|
2.5
|
43.4
|
1.0
|
HA
|
B:GLN244
|
2.7
|
16.3
|
1.0
|
O
|
B:GLU243
|
2.9
|
14.7
|
1.0
|
O
|
A:HOH472
|
3.1
|
20.4
|
1.0
|
O
|
A:ARG149
|
3.1
|
16.2
|
1.0
|
HA
|
A:SER150
|
3.3
|
13.1
|
1.0
|
HB3
|
A:ARG149
|
3.4
|
14.1
|
1.0
|
O
|
A:HOH488
|
3.5
|
22.9
|
1.0
|
C
|
B:GLU243
|
3.5
|
14.1
|
1.0
|
HG2
|
B:GLN244
|
3.5
|
15.8
|
1.0
|
CA
|
B:GLN244
|
3.6
|
16.4
|
1.0
|
HB2
|
A:ARG149
|
3.7
|
13.9
|
1.0
|
C
|
A:ARG149
|
3.7
|
15.1
|
1.0
|
N
|
B:GLN244
|
3.8
|
14.9
|
1.0
|
HB3
|
B:GLU243
|
3.8
|
13.3
|
1.0
|
CB
|
A:ARG149
|
3.9
|
14.0
|
1.0
|
CA
|
A:SER150
|
4.1
|
13.3
|
1.0
|
HG3
|
B:GLN244
|
4.1
|
9.8
|
1.0
|
O
|
A:HOH609
|
4.1
|
17.6
|
1.0
|
H
|
A:LYS151
|
4.1
|
14.1
|
1.0
|
CG
|
B:GLN244
|
4.1
|
16.7
|
1.0
|
N
|
A:SER150
|
4.2
|
14.1
|
1.0
|
O
|
B:HOH510
|
4.2
|
18.9
|
1.0
|
O
|
B:HOH436
|
4.3
|
16.9
|
1.0
|
O
|
A:HOH788
|
4.3
|
35.8
|
1.0
|
CB
|
B:GLN244
|
4.4
|
16.7
|
1.0
|
CA
|
A:ARG149
|
4.4
|
14.4
|
1.0
|
HG3
|
A:LYS151
|
4.5
|
21.8
|
1.0
|
O
|
A:HOH524
|
4.5
|
26.4
|
1.0
|
CB
|
B:GLU243
|
4.6
|
13.7
|
1.0
|
C
|
B:GLN244
|
4.6
|
16.1
|
1.0
|
CA
|
B:GLU243
|
4.6
|
13.5
|
1.0
|
H
|
B:GLN244
|
4.6
|
14.0
|
1.0
|
HB3
|
B:GLN244
|
4.7
|
13.8
|
1.0
|
HB2
|
B:GLU243
|
4.7
|
14.2
|
1.0
|
N
|
A:LYS151
|
4.7
|
14.6
|
1.0
|
C
|
A:SER150
|
4.8
|
14.3
|
1.0
|
HE2
|
A:LYS151
|
4.9
|
38.8
|
1.0
|
HA
|
A:ARG149
|
4.9
|
13.4
|
1.0
|
O
|
B:HOH613
|
4.9
|
27.5
|
1.0
|
O
|
B:GLN244
|
4.9
|
18.5
|
1.0
|
H
|
A:SER150
|
5.0
|
13.5
|
1.0
|
O
|
A:HOH744
|
5.0
|
20.5
|
1.0
|
HA
|
B:GLU243
|
5.0
|
14.3
|
1.0
|
|
Sodium binding site 3 out
of 5 in 5ns9
Go back to
Sodium Binding Sites List in 5ns9
Sodium binding site 3 out
of 5 in the Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate
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 GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na310
b:48.6
occ:1.00
|
OD2
|
B:ASP248
|
2.5
|
20.5
|
1.0
|
O
|
B:HOH772
|
2.7
|
44.1
|
1.0
|
O
|
B:HOH721
|
2.7
|
18.9
|
1.0
|
O
|
A:HOH456
|
2.9
|
45.2
|
1.0
|
O
|
A:LEU215
|
3.0
|
16.8
|
1.0
|
HE2
|
A:PHE155
|
3.5
|
14.0
|
1.0
|
CG
|
B:ASP248
|
3.6
|
17.1
|
1.0
|
HD12
|
A:ILE152
|
3.6
|
17.6
|
1.0
|
HB2
|
B:ASP248
|
3.6
|
16.8
|
1.0
|
HA
|
A:ASP216
|
3.7
|
14.6
|
1.0
|
HA2
|
B:GLY245
|
3.7
|
16.3
|
1.0
|
HD13
|
A:ILE152
|
3.7
|
18.0
|
1.0
|
HD11
|
A:ILE152
|
3.8
|
18.4
|
1.0
|
CD1
|
A:ILE152
|
3.9
|
18.2
|
1.0
|
CB
|
B:ASP248
|
4.0
|
16.2
|
1.0
|
O
|
B:HOH479
|
4.0
|
16.5
|
1.0
|
HB3
|
B:ASP248
|
4.0
|
16.4
|
1.0
|
HB3
|
A:ASP216
|
4.0
|
14.7
|
1.0
|
C
|
A:LEU215
|
4.1
|
14.1
|
1.0
|
HA3
|
B:GLY245
|
4.1
|
14.3
|
1.0
|
O
|
B:HOH592
|
4.3
|
33.0
|
1.0
|
O
|
B:HOH563
|
4.3
|
14.4
|
1.0
|
HZ
|
A:PHE146
|
4.3
|
17.5
|
1.0
|
CA
|
B:GLY245
|
4.4
|
14.9
|
1.0
|
CE2
|
A:PHE155
|
4.4
|
14.7
|
1.0
|
HE2
|
A:PHE146
|
4.4
|
15.4
|
1.0
|
CA
|
A:ASP216
|
4.4
|
14.2
|
1.0
|
CB
|
A:ASP216
|
4.6
|
14.9
|
1.0
|
HB2
|
A:ASP216
|
4.6
|
15.5
|
1.0
|
OD1
|
B:ASP248
|
4.6
|
23.2
|
1.0
|
N
|
A:ASP216
|
4.7
|
14.0
|
1.0
|
O
|
B:HOH678
|
4.8
|
46.6
|
1.0
|
HZ
|
A:PHE155
|
4.9
|
15.0
|
1.0
|
O
|
B:HOH602
|
5.0
|
14.0
|
1.0
|
O
|
A:HOH438
|
5.0
|
27.7
|
1.0
|
|
Sodium binding site 4 out
of 5 in 5ns9
Go back to
Sodium Binding Sites List in 5ns9
Sodium binding site 4 out
of 5 in the Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate
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 GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na303
b:29.6
occ:1.00
|
OE1
|
B:GLU77
|
2.2
|
14.9
|
0.4
|
HA
|
B:VAL56
|
2.7
|
15.1
|
1.0
|
OG1
|
B:THR54
|
2.8
|
12.6
|
0.3
|
OG1
|
B:THR9
|
2.8
|
14.9
|
1.0
|
O
|
B:HOH582
|
2.8
|
28.7
|
1.0
|
HG1
|
B:THR54
|
2.8
|
13.8
|
0.0
|
HG1
|
B:THR9
|
3.0
|
15.8
|
0.0
|
HB
|
B:THR9
|
3.0
|
13.3
|
1.0
|
HA
|
B:THR9
|
3.1
|
12.2
|
1.0
|
O
|
B:THR54
|
3.2
|
20.0
|
1.0
|
HG3
|
B:GLU77
|
3.2
|
15.6
|
0.6
|
HG21
|
B:THR54
|
3.2
|
19.3
|
0.7
|
CD
|
B:GLU77
|
3.2
|
14.9
|
0.4
|
HB
|
B:THR54
|
3.3
|
18.2
|
0.7
|
CB
|
B:THR9
|
3.3
|
13.2
|
1.0
|
HG22
|
B:THR54
|
3.4
|
18.3
|
0.7
|
CA
|
B:VAL56
|
3.5
|
14.9
|
1.0
|
N
|
B:VAL56
|
3.5
|
13.7
|
1.0
|
OE2
|
B:GLU77
|
3.6
|
14.1
|
0.4
|
CG2
|
B:THR54
|
3.6
|
18.8
|
0.7
|
CA
|
B:THR9
|
3.7
|
12.5
|
1.0
|
O
|
B:ILE55
|
3.7
|
13.4
|
1.0
|
C
|
B:ILE55
|
3.8
|
12.6
|
1.0
|
HB
|
B:THR54
|
3.8
|
14.0
|
0.3
|
C
|
B:THR54
|
3.8
|
13.5
|
1.0
|
CB
|
B:THR54
|
3.8
|
14.4
|
0.3
|
CB
|
B:THR54
|
3.8
|
17.3
|
0.7
|
H
|
B:VAL56
|
3.9
|
13.3
|
1.0
|
H
|
B:THR10
|
3.9
|
11.1
|
1.0
|
HB
|
B:VAL56
|
4.0
|
14.7
|
1.0
|
H
|
B:GLY57
|
4.0
|
16.3
|
1.0
|
CG
|
B:GLU77
|
4.1
|
15.5
|
0.6
|
OE1
|
B:GLU77
|
4.1
|
18.4
|
0.6
|
HG23
|
B:VAL56
|
4.1
|
16.5
|
1.0
|
HB1
|
B:ALA83
|
4.2
|
17.4
|
1.0
|
CB
|
B:VAL56
|
4.3
|
15.2
|
1.0
|
O
|
B:HOH656
|
4.4
|
40.7
|
1.0
|
HB3
|
B:GLU77
|
4.4
|
12.2
|
0.4
|
HB3
|
B:GLU77
|
4.4
|
12.3
|
0.6
|
CA
|
B:THR54
|
4.5
|
15.2
|
0.7
|
N
|
B:ILE55
|
4.5
|
13.7
|
1.0
|
CD
|
B:GLU77
|
4.5
|
16.4
|
0.6
|
CA
|
B:THR54
|
4.5
|
14.9
|
0.3
|
CG
|
B:GLU77
|
4.5
|
13.4
|
0.4
|
HG23
|
B:THR54
|
4.5
|
18.6
|
0.7
|
C
|
B:VAL56
|
4.5
|
14.7
|
1.0
|
N
|
B:GLY57
|
4.6
|
15.6
|
1.0
|
CA
|
B:ILE55
|
4.6
|
11.8
|
1.0
|
N
|
B:THR10
|
4.6
|
11.1
|
1.0
|
HB2
|
B:GLU77
|
4.6
|
11.4
|
0.4
|
N
|
B:THR9
|
4.7
|
10.7
|
1.0
|
C
|
B:THR9
|
4.7
|
12.2
|
1.0
|
HG2
|
B:GLU77
|
4.7
|
15.2
|
0.6
|
CG2
|
B:THR9
|
4.7
|
13.1
|
1.0
|
CG2
|
B:VAL56
|
4.7
|
16.7
|
1.0
|
HA
|
B:ILE55
|
4.7
|
11.4
|
1.0
|
CB
|
B:GLU77
|
4.8
|
11.8
|
0.6
|
CB
|
B:GLU77
|
4.8
|
12.2
|
0.4
|
HG22
|
B:THR9
|
4.8
|
12.7
|
1.0
|
HB2
|
B:GLU77
|
4.9
|
10.9
|
0.6
|
O
|
B:VAL8
|
4.9
|
15.1
|
1.0
|
HG22
|
B:THR54
|
5.0
|
14.3
|
0.3
|
|
Sodium binding site 5 out
of 5 in 5ns9
Go back to
Sodium Binding Sites List in 5ns9
Sodium binding site 5 out
of 5 in the Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Crystal Structure of the GLUA2 Lbd (L483Y-N754S-L758V) in Complex with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na304
b:48.9
occ:1.00
|
O
|
B:HOH416
|
2.4
|
29.2
|
1.0
|
O
|
B:GLY213
|
2.5
|
24.8
|
1.0
|
O
|
B:VAL211
|
2.9
|
19.4
|
1.0
|
HG13
|
B:ILE113
|
2.9
|
16.4
|
1.0
|
HD11
|
B:LEU215
|
3.0
|
20.6
|
0.5
|
H
|
B:ILE113
|
3.1
|
11.6
|
1.0
|
HD12
|
B:LEU215
|
3.1
|
20.2
|
0.5
|
O
|
B:HOH591
|
3.2
|
29.7
|
1.0
|
HA3
|
B:GLY212
|
3.2
|
22.6
|
1.0
|
HA
|
B:SER112
|
3.3
|
11.8
|
1.0
|
HD11
|
B:ILE113
|
3.3
|
17.0
|
1.0
|
HD12
|
B:ILE113
|
3.4
|
16.7
|
1.0
|
CD1
|
B:LEU215
|
3.4
|
20.2
|
0.5
|
HD13
|
B:LEU215
|
3.5
|
20.7
|
0.5
|
CG1
|
B:ILE113
|
3.5
|
16.8
|
1.0
|
HB
|
B:ILE113
|
3.5
|
14.0
|
1.0
|
CD1
|
B:ILE113
|
3.6
|
16.8
|
1.0
|
C
|
B:GLY212
|
3.6
|
24.2
|
1.0
|
HD22
|
B:LEU215
|
3.6
|
17.2
|
0.6
|
C
|
B:GLY213
|
3.7
|
21.6
|
1.0
|
N
|
B:ILE113
|
3.7
|
11.2
|
1.0
|
HD23
|
B:LEU215
|
3.7
|
16.1
|
0.6
|
N
|
B:GLY213
|
3.8
|
24.9
|
1.0
|
CA
|
B:GLY212
|
3.8
|
22.7
|
1.0
|
HG
|
B:LEU215
|
3.9
|
18.8
|
0.6
|
C
|
B:VAL211
|
3.9
|
17.9
|
1.0
|
CB
|
B:ILE113
|
4.0
|
13.9
|
1.0
|
H
|
B:GLY213
|
4.0
|
25.3
|
1.0
|
O
|
B:GLY212
|
4.0
|
21.2
|
1.0
|
CD2
|
B:LEU215
|
4.1
|
16.4
|
0.6
|
CA
|
B:SER112
|
4.1
|
11.7
|
1.0
|
HA
|
B:ASN214
|
4.2
|
16.1
|
1.0
|
HA
|
B:SER123
|
4.2
|
18.2
|
1.0
|
C
|
B:SER112
|
4.3
|
12.3
|
1.0
|
HZ1
|
B:LYS210
|
4.3
|
31.1
|
1.0
|
HB2
|
B:SER112
|
4.3
|
13.4
|
1.0
|
N
|
B:GLY212
|
4.4
|
21.1
|
1.0
|
HG12
|
B:ILE113
|
4.4
|
16.8
|
1.0
|
H
|
B:ALA124
|
4.4
|
17.7
|
1.0
|
CA
|
B:GLY213
|
4.4
|
25.7
|
1.0
|
CA
|
B:ILE113
|
4.5
|
13.1
|
1.0
|
HD13
|
B:ILE113
|
4.5
|
16.5
|
1.0
|
CG
|
B:LEU215
|
4.5
|
18.9
|
0.6
|
HA2
|
B:GLY212
|
4.6
|
22.5
|
1.0
|
HD12
|
B:LEU215
|
4.7
|
22.4
|
0.6
|
N
|
B:ASN214
|
4.7
|
16.0
|
1.0
|
HZ3
|
B:LYS210
|
4.7
|
32.2
|
1.0
|
HG23
|
B:VAL211
|
4.7
|
21.8
|
1.0
|
CB
|
B:SER112
|
4.8
|
13.7
|
1.0
|
CA
|
B:ASN214
|
4.8
|
17.6
|
1.0
|
CG
|
B:LEU215
|
4.9
|
20.0
|
0.5
|
HB1
|
B:ALA124
|
4.9
|
19.5
|
1.0
|
NZ
|
B:LYS210
|
4.9
|
31.8
|
1.0
|
HD21
|
B:LEU215
|
4.9
|
16.7
|
0.6
|
H
|
B:LEU215
|
4.9
|
17.1
|
1.0
|
O
|
B:ILE111
|
5.0
|
16.3
|
1.0
|
N
|
B:ALA124
|
5.0
|
19.2
|
1.0
|
|
Reference:
W.Zhang,
C.Eibl,
A.M.Weeks,
I.Riva,
Y.J.Li,
A.J.R.Plested,
J.R.Howe.
Unitary Properties of Ampa Receptors with Reduced Desensitization. Biophys. J. V. 113 2218 2017.
ISSN: ESSN 1542-0086
PubMed: 28863863
DOI: 10.1016/J.BPJ.2017.07.030
Page generated: Mon Oct 7 23:02:55 2024
|