Sodium in PDB 3q9b: Crystal Structure of Apah Complexed with M344
Protein crystallography data
The structure of Crystal Structure of Apah Complexed with M344, PDB code: 3q9b
was solved by
P.M.Lombardi,
D.W.Christianson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
50.00 /
2.25
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
118.657,
119.734,
119.526,
98.09,
95.15,
115.33
|
|
R / Rfree (%)
|
17.1 /
20.2
|
Other elements in 3q9b:
The structure of Crystal Structure of Apah Complexed with M344 also contains other interesting chemical elements:
Sodium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Sodium atom in the Crystal Structure of Apah Complexed with M344
(pdb code 3q9b). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 12 binding sites of Sodium where determined in the
Crystal Structure of Apah Complexed with M344, PDB code: 3q9b:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Sodium binding site 1 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 1 out
of 12 in the Crystal Structure of Apah Complexed with M344
 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 Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na344
b:13.0
occ:1.00
|
OG1
|
A:THR243
|
2.3
|
16.9
|
1.0
|
|
O
|
A:ARG209
|
2.3
|
19.6
|
1.0
|
|
O
|
A:HOH829
|
2.3
|
11.1
|
1.0
|
|
O
|
A:VAL212
|
2.3
|
16.4
|
1.0
|
|
O
|
A:PHE206
|
2.4
|
11.4
|
1.0
|
|
CB
|
A:THR243
|
3.1
|
16.9
|
1.0
|
|
C
|
A:ARG209
|
3.5
|
19.1
|
1.0
|
|
C
|
A:VAL212
|
3.5
|
15.2
|
1.0
|
|
C
|
A:PHE206
|
3.5
|
12.6
|
1.0
|
|
O
|
A:HOH825
|
3.7
|
15.6
|
1.0
|
|
CB
|
A:PHE206
|
3.7
|
9.9
|
1.0
|
|
O
|
A:THR243
|
3.9
|
13.7
|
1.0
|
|
CG2
|
A:THR243
|
4.0
|
15.0
|
1.0
|
|
N
|
A:ARG209
|
4.1
|
18.3
|
1.0
|
|
CA
|
A:ARG209
|
4.1
|
18.2
|
1.0
|
|
CB
|
A:ARG209
|
4.1
|
16.7
|
1.0
|
|
CA
|
A:PHE206
|
4.2
|
11.4
|
1.0
|
|
O
|
A:HOH565
|
4.3
|
11.2
|
1.0
|
|
CA
|
A:VAL212
|
4.3
|
15.9
|
1.0
|
|
CA
|
A:THR243
|
4.4
|
14.8
|
1.0
|
|
C
|
A:THR243
|
4.4
|
14.4
|
1.0
|
|
N
|
A:VAL212
|
4.4
|
16.8
|
1.0
|
|
N
|
A:PHE213
|
4.5
|
14.2
|
1.0
|
|
CB
|
A:VAL212
|
4.5
|
16.8
|
1.0
|
|
O
|
A:GLY240
|
4.5
|
16.0
|
1.0
|
|
N
|
A:GLY210
|
4.5
|
18.5
|
1.0
|
|
N
|
A:TYR207
|
4.6
|
11.4
|
1.0
|
|
CA
|
A:PHE213
|
4.6
|
13.4
|
1.0
|
|
C
|
A:TYR207
|
4.7
|
16.6
|
1.0
|
|
CA
|
A:GLY240
|
4.7
|
14.0
|
1.0
|
|
O
|
A:TYR207
|
4.7
|
16.7
|
1.0
|
|
CA
|
A:GLY210
|
4.7
|
17.5
|
1.0
|
|
CA
|
A:TYR207
|
4.8
|
14.1
|
1.0
|
|
CG
|
A:PHE206
|
4.9
|
10.0
|
1.0
|
|
Sodium binding site 2 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 2 out
of 12 in the Crystal Structure of Apah Complexed with M344
 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 Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na344
b:25.1
occ:1.00
|
OG1
|
B:THR243
|
2.2
|
17.3
|
1.0
|
|
O
|
B:ARG209
|
2.3
|
20.2
|
1.0
|
|
O
|
B:HOH590
|
2.3
|
19.6
|
1.0
|
|
O
|
B:VAL212
|
2.4
|
16.4
|
1.0
|
|
O
|
B:PHE206
|
2.4
|
17.3
|
1.0
|
|
CB
|
B:THR243
|
3.0
|
17.9
|
1.0
|
|
O
|
B:HOH349
|
3.4
|
22.0
|
1.0
|
|
C
|
B:ARG209
|
3.5
|
20.1
|
1.0
|
|
C
|
B:PHE206
|
3.6
|
15.8
|
1.0
|
|
C
|
B:VAL212
|
3.6
|
15.3
|
1.0
|
|
O
|
B:THR243
|
3.8
|
17.1
|
1.0
|
|
CB
|
B:PHE206
|
3.9
|
12.5
|
1.0
|
|
CG2
|
B:THR243
|
4.0
|
15.3
|
1.0
|
|
N
|
B:ARG209
|
4.0
|
19.8
|
1.0
|
|
CA
|
B:ARG209
|
4.2
|
20.0
|
1.0
|
|
C
|
B:THR243
|
4.2
|
17.1
|
1.0
|
|
CA
|
B:THR243
|
4.3
|
17.2
|
1.0
|
|
CA
|
B:PHE206
|
4.3
|
13.3
|
1.0
|
|
O
|
B:GLY240
|
4.4
|
16.0
|
1.0
|
|
O
|
B:HOH587
|
4.4
|
17.6
|
1.0
|
|
CB
|
B:ARG209
|
4.4
|
20.2
|
1.0
|
|
CA
|
B:VAL212
|
4.5
|
14.7
|
1.0
|
|
N
|
B:VAL212
|
4.5
|
16.9
|
1.0
|
|
O
|
B:TYR207
|
4.5
|
15.5
|
1.0
|
|
N
|
B:TYR207
|
4.5
|
14.9
|
1.0
|
|
C
|
B:TYR207
|
4.5
|
15.9
|
1.0
|
|
N
|
B:PHE213
|
4.5
|
15.1
|
1.0
|
|
N
|
B:GLY210
|
4.6
|
19.9
|
1.0
|
|
CA
|
B:GLY240
|
4.6
|
16.1
|
1.0
|
|
CB
|
B:VAL212
|
4.6
|
14.7
|
1.0
|
|
CA
|
B:PHE213
|
4.6
|
15.8
|
1.0
|
|
CA
|
B:TYR207
|
4.7
|
15.4
|
1.0
|
|
CA
|
B:GLY210
|
4.8
|
20.1
|
1.0
|
|
OG1
|
B:THR244
|
4.9
|
21.0
|
1.0
|
|
C
|
B:GLY240
|
5.0
|
16.4
|
1.0
|
|
Sodium binding site 3 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 3 out
of 12 in the Crystal Structure of Apah Complexed with M344
 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 Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na343
b:17.3
occ:1.00
|
O
|
C:ARG209
|
2.2
|
21.0
|
1.0
|
|
O
|
C:HOH827
|
2.3
|
11.2
|
1.0
|
|
OG1
|
C:THR243
|
2.4
|
15.8
|
1.0
|
|
O
|
C:VAL212
|
2.4
|
15.6
|
1.0
|
|
O
|
C:PHE206
|
2.5
|
12.0
|
1.0
|
|
CB
|
C:THR243
|
3.1
|
16.2
|
1.0
|
|
C
|
C:ARG209
|
3.4
|
20.9
|
1.0
|
|
C
|
C:VAL212
|
3.5
|
16.3
|
1.0
|
|
C
|
C:PHE206
|
3.6
|
13.6
|
1.0
|
|
O
|
C:HOH828
|
3.7
|
14.5
|
1.0
|
|
CB
|
C:PHE206
|
3.8
|
12.8
|
1.0
|
|
O
|
C:THR243
|
3.9
|
15.4
|
1.0
|
|
CG2
|
C:THR243
|
4.0
|
16.4
|
1.0
|
|
N
|
C:ARG209
|
4.0
|
20.3
|
1.0
|
|
CA
|
C:ARG209
|
4.1
|
21.0
|
1.0
|
|
CA
|
C:PHE206
|
4.3
|
13.0
|
1.0
|
|
O
|
C:HOH574
|
4.4
|
9.2
|
1.0
|
|
CA
|
C:THR243
|
4.4
|
14.8
|
1.0
|
|
CA
|
C:VAL212
|
4.4
|
15.2
|
1.0
|
|
C
|
C:THR243
|
4.4
|
14.6
|
1.0
|
|
N
|
C:VAL212
|
4.4
|
15.7
|
1.0
|
|
CB
|
C:ARG209
|
4.4
|
21.6
|
1.0
|
|
N
|
C:GLY210
|
4.4
|
19.3
|
1.0
|
|
N
|
C:PHE213
|
4.5
|
15.3
|
1.0
|
|
O
|
C:GLY240
|
4.5
|
18.9
|
1.0
|
|
CB
|
C:VAL212
|
4.5
|
15.7
|
1.0
|
|
CA
|
C:PHE213
|
4.6
|
14.8
|
1.0
|
|
N
|
C:TYR207
|
4.6
|
12.8
|
1.0
|
|
CA
|
C:GLY240
|
4.6
|
16.9
|
1.0
|
|
C
|
C:TYR207
|
4.7
|
16.2
|
1.0
|
|
CA
|
C:GLY210
|
4.7
|
18.4
|
1.0
|
|
O
|
C:TYR207
|
4.7
|
16.1
|
1.0
|
|
CA
|
C:TYR207
|
4.8
|
14.1
|
1.0
|
|
CG1
|
C:VAL212
|
5.0
|
14.3
|
1.0
|
|
Sodium binding site 4 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 4 out
of 12 in the Crystal Structure of Apah Complexed with M344
 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 Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na345
b:20.5
occ:1.00
|
O
|
D:ARG209
|
2.2
|
18.6
|
1.0
|
|
OG1
|
D:THR243
|
2.3
|
15.6
|
1.0
|
|
O
|
D:VAL212
|
2.3
|
16.7
|
1.0
|
|
O
|
D:HOH586
|
2.4
|
19.4
|
1.0
|
|
O
|
D:PHE206
|
2.4
|
19.3
|
1.0
|
|
CB
|
D:THR243
|
3.1
|
16.1
|
1.0
|
|
C
|
D:ARG209
|
3.4
|
20.7
|
1.0
|
|
O
|
D:HOH551
|
3.5
|
18.2
|
1.0
|
|
C
|
D:VAL212
|
3.5
|
16.8
|
1.0
|
|
C
|
D:PHE206
|
3.6
|
17.4
|
1.0
|
|
O
|
D:THR243
|
3.9
|
16.9
|
1.0
|
|
CB
|
D:PHE206
|
3.9
|
14.5
|
1.0
|
|
CG2
|
D:THR243
|
3.9
|
14.2
|
1.0
|
|
N
|
D:ARG209
|
4.0
|
20.0
|
1.0
|
|
CA
|
D:ARG209
|
4.1
|
20.3
|
1.0
|
|
CA
|
D:PHE206
|
4.3
|
15.3
|
1.0
|
|
CA
|
D:THR243
|
4.3
|
16.1
|
1.0
|
|
C
|
D:THR243
|
4.3
|
16.6
|
1.0
|
|
CA
|
D:VAL212
|
4.4
|
16.5
|
1.0
|
|
CB
|
D:ARG209
|
4.4
|
18.4
|
1.0
|
|
O
|
D:HOH549
|
4.4
|
11.0
|
1.0
|
|
N
|
D:VAL212
|
4.4
|
17.8
|
1.0
|
|
O
|
D:GLY240
|
4.4
|
16.3
|
1.0
|
|
N
|
D:GLY210
|
4.5
|
20.5
|
1.0
|
|
CB
|
D:VAL212
|
4.5
|
17.9
|
1.0
|
|
N
|
D:PHE213
|
4.5
|
14.4
|
1.0
|
|
N
|
D:TYR207
|
4.6
|
17.1
|
1.0
|
|
C
|
D:TYR207
|
4.6
|
18.3
|
1.0
|
|
O
|
D:TYR207
|
4.6
|
19.1
|
1.0
|
|
CA
|
D:PHE213
|
4.6
|
15.1
|
1.0
|
|
CA
|
D:GLY240
|
4.6
|
16.3
|
1.0
|
|
CA
|
D:GLY210
|
4.7
|
20.6
|
1.0
|
|
CA
|
D:TYR207
|
4.7
|
16.9
|
1.0
|
|
CG1
|
D:VAL212
|
5.0
|
15.6
|
1.0
|
|
Sodium binding site 5 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 5 out
of 12 in the Crystal Structure of Apah Complexed with M344
 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 Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na344
b:20.1
occ:1.00
|
O
|
E:HOH556
|
2.3
|
10.0
|
1.0
|
|
O
|
E:ARG209
|
2.3
|
22.2
|
1.0
|
|
OG1
|
E:THR243
|
2.3
|
14.3
|
1.0
|
|
O
|
E:VAL212
|
2.4
|
16.3
|
1.0
|
|
O
|
E:PHE206
|
2.5
|
13.0
|
1.0
|
|
CB
|
E:THR243
|
3.1
|
16.2
|
1.0
|
|
C
|
E:ARG209
|
3.5
|
21.1
|
1.0
|
|
C
|
E:VAL212
|
3.6
|
15.7
|
1.0
|
|
C
|
E:PHE206
|
3.6
|
12.8
|
1.0
|
|
O
|
E:HOH822
|
3.6
|
13.1
|
1.0
|
|
CB
|
E:PHE206
|
3.8
|
13.3
|
1.0
|
|
O
|
E:THR243
|
3.9
|
13.7
|
1.0
|
|
CG2
|
E:THR243
|
3.9
|
14.4
|
1.0
|
|
N
|
E:ARG209
|
4.0
|
20.2
|
1.0
|
|
CA
|
E:ARG209
|
4.1
|
20.6
|
1.0
|
|
CB
|
E:ARG209
|
4.2
|
20.6
|
1.0
|
|
CA
|
E:PHE206
|
4.3
|
13.2
|
1.0
|
|
CA
|
E:THR243
|
4.3
|
15.1
|
1.0
|
|
C
|
E:THR243
|
4.3
|
14.5
|
1.0
|
|
CA
|
E:VAL212
|
4.4
|
15.8
|
1.0
|
|
N
|
E:VAL212
|
4.4
|
17.3
|
1.0
|
|
O
|
E:HOH577
|
4.5
|
11.0
|
1.0
|
|
O
|
E:GLY240
|
4.5
|
16.7
|
1.0
|
|
N
|
E:PHE213
|
4.5
|
14.5
|
1.0
|
|
N
|
E:GLY210
|
4.5
|
22.0
|
1.0
|
|
C
|
E:TYR207
|
4.5
|
16.4
|
1.0
|
|
CB
|
E:VAL212
|
4.6
|
14.5
|
1.0
|
|
N
|
E:TYR207
|
4.6
|
13.0
|
1.0
|
|
O
|
E:TYR207
|
4.6
|
16.7
|
1.0
|
|
CA
|
E:PHE213
|
4.6
|
15.1
|
1.0
|
|
CA
|
E:GLY240
|
4.7
|
16.5
|
1.0
|
|
CA
|
E:TYR207
|
4.7
|
15.0
|
1.0
|
|
CA
|
E:GLY210
|
4.8
|
20.3
|
1.0
|
|
N
|
E:GLU208
|
5.0
|
17.6
|
1.0
|
|
CG1
|
E:VAL212
|
5.0
|
15.3
|
1.0
|
|
Sodium binding site 6 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 6 out
of 12 in the Crystal Structure of Apah Complexed with M344
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Crystal Structure of Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Na346
b:17.4
occ:1.00
|
O
|
F:HOH830
|
2.2
|
10.0
|
1.0
|
|
O
|
F:ARG209
|
2.3
|
19.9
|
1.0
|
|
O
|
F:PHE206
|
2.3
|
10.6
|
1.0
|
|
OG1
|
F:THR243
|
2.4
|
13.7
|
1.0
|
|
O
|
F:VAL212
|
2.5
|
17.7
|
1.0
|
|
CB
|
F:THR243
|
3.2
|
15.9
|
1.0
|
|
C
|
F:ARG209
|
3.4
|
19.9
|
1.0
|
|
C
|
F:PHE206
|
3.5
|
12.8
|
1.0
|
|
C
|
F:VAL212
|
3.6
|
16.8
|
1.0
|
|
O
|
F:HOH823
|
3.6
|
11.9
|
1.0
|
|
CB
|
F:PHE206
|
3.8
|
12.3
|
1.0
|
|
N
|
F:ARG209
|
3.9
|
18.7
|
1.0
|
|
O
|
F:THR243
|
4.0
|
19.7
|
1.0
|
|
CG2
|
F:THR243
|
4.1
|
13.3
|
1.0
|
|
CA
|
F:ARG209
|
4.1
|
18.9
|
1.0
|
|
CA
|
F:PHE206
|
4.2
|
11.7
|
1.0
|
|
CB
|
F:ARG209
|
4.3
|
19.6
|
1.0
|
|
CA
|
F:THR243
|
4.4
|
16.3
|
1.0
|
|
C
|
F:THR243
|
4.4
|
17.7
|
1.0
|
|
O
|
F:HOH563
|
4.5
|
11.9
|
1.0
|
|
C
|
F:TYR207
|
4.5
|
14.0
|
1.0
|
|
O
|
F:TYR207
|
4.5
|
12.8
|
1.0
|
|
N
|
F:TYR207
|
4.5
|
12.8
|
1.0
|
|
CA
|
F:VAL212
|
4.5
|
17.5
|
1.0
|
|
N
|
F:VAL212
|
4.5
|
19.1
|
1.0
|
|
O
|
F:GLY240
|
4.5
|
15.6
|
1.0
|
|
N
|
F:GLY210
|
4.5
|
19.2
|
1.0
|
|
N
|
F:PHE213
|
4.6
|
15.5
|
1.0
|
|
CB
|
F:VAL212
|
4.6
|
17.4
|
1.0
|
|
CA
|
F:TYR207
|
4.6
|
13.0
|
1.0
|
|
CA
|
F:PHE213
|
4.6
|
16.0
|
1.0
|
|
CA
|
F:GLY240
|
4.7
|
15.2
|
1.0
|
|
CA
|
F:GLY210
|
4.8
|
19.9
|
1.0
|
|
N
|
F:GLU208
|
4.9
|
15.8
|
1.0
|
|
CG
|
F:PHE206
|
4.9
|
14.6
|
1.0
|
|
C
|
F:GLU208
|
5.0
|
18.3
|
1.0
|
|
Sodium binding site 7 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 7 out
of 12 in the Crystal Structure of Apah Complexed with M344
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Crystal Structure of Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Na345
b:20.3
occ:1.00
|
O
|
G:ARG209
|
2.2
|
20.7
|
1.0
|
|
OG1
|
G:THR243
|
2.3
|
12.7
|
1.0
|
|
O
|
G:HOH555
|
2.3
|
10.8
|
1.0
|
|
O
|
G:VAL212
|
2.4
|
18.1
|
1.0
|
|
O
|
G:PHE206
|
2.5
|
12.0
|
1.0
|
|
CB
|
G:THR243
|
3.0
|
16.2
|
1.0
|
|
C
|
G:ARG209
|
3.4
|
21.0
|
1.0
|
|
O
|
G:HOH550
|
3.5
|
19.8
|
1.0
|
|
C
|
G:VAL212
|
3.6
|
16.2
|
1.0
|
|
C
|
G:PHE206
|
3.7
|
13.5
|
1.0
|
|
CG2
|
G:THR243
|
3.8
|
14.7
|
1.0
|
|
O
|
G:THR243
|
4.0
|
15.0
|
1.0
|
|
CB
|
G:PHE206
|
4.0
|
11.1
|
1.0
|
|
N
|
G:ARG209
|
4.0
|
20.8
|
1.0
|
|
CA
|
G:ARG209
|
4.1
|
20.7
|
1.0
|
|
CB
|
G:ARG209
|
4.2
|
19.5
|
1.0
|
|
CA
|
G:THR243
|
4.3
|
15.6
|
1.0
|
|
C
|
G:THR243
|
4.4
|
15.4
|
1.0
|
|
CA
|
G:PHE206
|
4.4
|
11.9
|
1.0
|
|
O
|
G:GLY240
|
4.4
|
16.2
|
1.0
|
|
N
|
G:VAL212
|
4.4
|
16.4
|
1.0
|
|
CA
|
G:VAL212
|
4.4
|
15.5
|
1.0
|
|
N
|
G:GLY210
|
4.4
|
21.6
|
1.0
|
|
N
|
G:PHE213
|
4.5
|
15.5
|
1.0
|
|
O
|
G:TYR207
|
4.6
|
16.6
|
1.0
|
|
CA
|
G:GLY240
|
4.6
|
16.4
|
1.0
|
|
CA
|
G:PHE213
|
4.6
|
16.1
|
1.0
|
|
CA
|
G:GLY210
|
4.6
|
19.6
|
1.0
|
|
CB
|
G:VAL212
|
4.6
|
14.4
|
1.0
|
|
C
|
G:TYR207
|
4.6
|
16.7
|
1.0
|
|
O
|
G:HOH560
|
4.6
|
11.3
|
1.0
|
|
N
|
G:TYR207
|
4.7
|
12.5
|
1.0
|
|
CA
|
G:TYR207
|
4.8
|
15.2
|
1.0
|
|
C
|
G:GLY210
|
4.9
|
19.6
|
1.0
|
|
C
|
G:GLY240
|
5.0
|
17.2
|
1.0
|
|
Sodium binding site 8 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 8 out
of 12 in the Crystal Structure of Apah Complexed with M344
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Crystal Structure of Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Na343
b:20.9
occ:1.00
|
O
|
H:HOH567
|
2.1
|
15.6
|
1.0
|
|
O
|
H:ARG209
|
2.2
|
18.6
|
1.0
|
|
O
|
H:VAL212
|
2.3
|
21.1
|
1.0
|
|
O
|
H:PHE206
|
2.3
|
16.1
|
1.0
|
|
OG1
|
H:THR243
|
2.5
|
18.8
|
1.0
|
|
CB
|
H:THR243
|
3.3
|
18.2
|
1.0
|
|
C
|
H:ARG209
|
3.3
|
19.8
|
1.0
|
|
C
|
H:PHE206
|
3.4
|
15.6
|
1.0
|
|
C
|
H:VAL212
|
3.5
|
19.0
|
1.0
|
|
CB
|
H:PHE206
|
3.7
|
14.4
|
1.0
|
|
O
|
H:HOH820
|
3.7
|
13.1
|
1.0
|
|
N
|
H:ARG209
|
3.9
|
20.7
|
1.0
|
|
CA
|
H:ARG209
|
4.0
|
20.6
|
1.0
|
|
O
|
H:THR243
|
4.0
|
16.8
|
1.0
|
|
CA
|
H:PHE206
|
4.1
|
15.2
|
1.0
|
|
CG2
|
H:THR243
|
4.1
|
18.5
|
1.0
|
|
CB
|
H:ARG209
|
4.2
|
19.7
|
1.0
|
|
CA
|
H:VAL212
|
4.3
|
18.7
|
1.0
|
|
N
|
H:VAL212
|
4.3
|
20.4
|
1.0
|
|
O
|
H:HOH585
|
4.4
|
15.3
|
1.0
|
|
N
|
H:GLY210
|
4.5
|
19.5
|
1.0
|
|
N
|
H:PHE213
|
4.5
|
17.4
|
1.0
|
|
CB
|
H:VAL212
|
4.5
|
17.9
|
1.0
|
|
N
|
H:TYR207
|
4.5
|
16.5
|
1.0
|
|
O
|
H:GLY240
|
4.5
|
15.0
|
1.0
|
|
CA
|
H:THR243
|
4.5
|
18.1
|
1.0
|
|
C
|
H:THR243
|
4.5
|
17.5
|
1.0
|
|
C
|
H:TYR207
|
4.6
|
17.6
|
1.0
|
|
O
|
H:TYR207
|
4.6
|
16.2
|
1.0
|
|
CA
|
H:PHE213
|
4.6
|
16.5
|
1.0
|
|
CA
|
H:TYR207
|
4.7
|
16.4
|
1.0
|
|
CA
|
H:GLY210
|
4.7
|
20.4
|
1.0
|
|
CA
|
H:GLY240
|
4.8
|
16.5
|
1.0
|
|
CG
|
H:PHE206
|
4.8
|
16.9
|
1.0
|
|
N
|
H:GLU208
|
5.0
|
18.4
|
1.0
|
|
CG1
|
H:VAL212
|
5.0
|
15.9
|
1.0
|
|
Sodium binding site 9 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 9 out
of 12 in the Crystal Structure of Apah Complexed with M344
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 9 of Crystal Structure of Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Na343
b:20.4
occ:1.00
|
O
|
I:HOH569
|
2.2
|
15.8
|
1.0
|
|
O
|
I:ARG209
|
2.3
|
20.3
|
1.0
|
|
O
|
I:VAL212
|
2.3
|
12.8
|
1.0
|
|
OG1
|
I:THR243
|
2.4
|
12.5
|
1.0
|
|
O
|
I:PHE206
|
2.5
|
15.2
|
1.0
|
|
CB
|
I:THR243
|
3.1
|
15.0
|
1.0
|
|
C
|
I:ARG209
|
3.4
|
20.1
|
1.0
|
|
C
|
I:VAL212
|
3.5
|
13.4
|
1.0
|
|
C
|
I:PHE206
|
3.6
|
15.3
|
1.0
|
|
O
|
I:HOH824
|
3.8
|
17.5
|
1.0
|
|
O
|
I:THR243
|
3.8
|
15.0
|
1.0
|
|
CB
|
I:PHE206
|
3.9
|
12.8
|
1.0
|
|
CG2
|
I:THR243
|
3.9
|
13.4
|
1.0
|
|
N
|
I:ARG209
|
4.0
|
21.2
|
1.0
|
|
CA
|
I:ARG209
|
4.1
|
21.2
|
1.0
|
|
CB
|
I:ARG209
|
4.3
|
21.2
|
1.0
|
|
N
|
I:VAL212
|
4.3
|
15.1
|
1.0
|
|
CA
|
I:PHE206
|
4.3
|
13.4
|
1.0
|
|
CA
|
I:THR243
|
4.3
|
15.4
|
1.0
|
|
CA
|
I:VAL212
|
4.3
|
12.8
|
1.0
|
|
C
|
I:THR243
|
4.4
|
15.1
|
1.0
|
|
N
|
I:PHE213
|
4.4
|
12.3
|
1.0
|
|
O
|
I:GLY240
|
4.5
|
13.5
|
1.0
|
|
N
|
I:GLY210
|
4.5
|
18.6
|
1.0
|
|
O
|
I:HOH558
|
4.5
|
12.9
|
1.0
|
|
CA
|
I:PHE213
|
4.5
|
13.6
|
1.0
|
|
CB
|
I:VAL212
|
4.6
|
13.2
|
1.0
|
|
N
|
I:TYR207
|
4.6
|
15.4
|
1.0
|
|
C
|
I:TYR207
|
4.7
|
16.4
|
1.0
|
|
O
|
I:TYR207
|
4.7
|
15.0
|
1.0
|
|
CA
|
I:GLY240
|
4.7
|
14.4
|
1.0
|
|
CA
|
I:GLY210
|
4.7
|
16.9
|
1.0
|
|
CA
|
I:TYR207
|
4.8
|
14.7
|
1.0
|
|
Sodium binding site 10 out
of 12 in 3q9b
Go back to
Sodium Binding Sites List in 3q9b
Sodium binding site 10 out
of 12 in the Crystal Structure of Apah Complexed with M344
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 10 of Crystal Structure of Apah Complexed with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Na343
b:13.9
occ:1.00
|
O
|
J:HOH839
|
2.1
|
16.9
|
1.0
|
|
OG1
|
J:THR243
|
2.3
|
17.6
|
1.0
|
|
O
|
J:VAL212
|
2.4
|
17.8
|
1.0
|
|
O
|
J:PHE206
|
2.4
|
13.3
|
1.0
|
|
O
|
J:ARG209
|
2.5
|
20.1
|
1.0
|
|
CB
|
J:THR243
|
3.1
|
18.2
|
1.0
|
|
O
|
J:HOH554
|
3.5
|
20.5
|
1.0
|
|
C
|
J:PHE206
|
3.5
|
14.6
|
1.0
|
|
C
|
J:VAL212
|
3.6
|
17.8
|
1.0
|
|
C
|
J:ARG209
|
3.7
|
19.5
|
1.0
|
|
CB
|
J:PHE206
|
3.8
|
12.7
|
1.0
|
|
O
|
J:THR243
|
3.8
|
19.8
|
1.0
|
|
CG2
|
J:THR243
|
4.0
|
16.2
|
1.0
|
|
N
|
J:ARG209
|
4.2
|
19.6
|
1.0
|
|
CA
|
J:PHE206
|
4.3
|
13.2
|
1.0
|
|
C
|
J:THR243
|
4.3
|
17.9
|
1.0
|
|
CA
|
J:THR243
|
4.3
|
16.6
|
1.0
|
|
O
|
J:HOH579
|
4.3
|
16.7
|
1.0
|
|
CA
|
J:ARG209
|
4.3
|
19.6
|
1.0
|
|
CA
|
J:VAL212
|
4.5
|
18.2
|
1.0
|
|
N
|
J:PHE213
|
4.5
|
16.9
|
1.0
|
|
N
|
J:TYR207
|
4.5
|
14.6
|
1.0
|
|
CB
|
J:ARG209
|
4.5
|
19.1
|
1.0
|
|
CA
|
J:PHE213
|
4.6
|
16.8
|
1.0
|
|
O
|
J:GLY240
|
4.6
|
15.4
|
1.0
|
|
N
|
J:VAL212
|
4.6
|
19.9
|
1.0
|
|
C
|
J:TYR207
|
4.6
|
15.4
|
1.0
|
|
O
|
J:TYR207
|
4.6
|
14.1
|
1.0
|
|
CB
|
J:VAL212
|
4.7
|
18.8
|
1.0
|
|
CA
|
J:TYR207
|
4.7
|
14.5
|
1.0
|
|
N
|
J:GLY210
|
4.7
|
18.6
|
1.0
|
|
CA
|
J:GLY240
|
4.8
|
14.3
|
1.0
|
|
CA
|
J:GLY210
|
4.9
|
19.9
|
1.0
|
|
N
|
J:PHE214
|
4.9
|
15.0
|
1.0
|
|
OG1
|
J:THR244
|
5.0
|
17.7
|
1.0
|
|
Reference:
P.M.Lombardi,
H.D.Angell,
D.A.Whittington,
E.F.Flynn,
K.R.Rajashankar,
D.W.Christianson.
Structure of Prokaryotic Polyamine Deacetylase Reveals Evolutionary Functional Relationships with Eukaryotic Histone Deacetylases . Biochemistry V. 50 1808 2011.
ISSN: ISSN 0006-2960
PubMed: 21268586
DOI: 10.1021/BI101859K
Page generated: Mon Oct 7 12:26:44 2024
|
