Sodium in PDB 2frs: Crystal Structure of the F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution
Protein crystallography data
The structure of Crystal Structure of the F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution, PDB code: 2frs
was solved by
S.Vaezeslami,
J.H.Geiger,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
33.90 /
1.51
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
34.582,
37.030,
58.693,
102.00,
106.12,
93.00
|
R / Rfree (%)
|
17.4 /
24
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of the F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution
(pdb code 2frs). 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 F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution, PDB code: 2frs:
Jump to Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 2frs
Go back to
Sodium Binding Sites List in 2frs
Sodium binding site 1 out
of 4 in the Crystal Structure of the F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution
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 F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na501
b:48.0
occ:1.00
|
O
|
A:THR75
|
2.1
|
30.9
|
1.0
|
O
|
A:HOH700
|
2.2
|
44.9
|
1.0
|
NA
|
A:NA503
|
3.0
|
35.1
|
1.0
|
C
|
A:THR75
|
3.1
|
31.9
|
1.0
|
O
|
A:GLN74
|
3.3
|
31.9
|
1.0
|
C
|
A:GLN74
|
3.3
|
31.2
|
1.0
|
CB
|
A:GLN74
|
3.3
|
31.8
|
1.0
|
N
|
A:THR75
|
3.6
|
31.8
|
1.0
|
O
|
A:HOH623
|
3.9
|
37.7
|
1.0
|
CA
|
A:GLN74
|
3.9
|
31.0
|
1.0
|
O
|
A:HOH585
|
3.9
|
33.0
|
1.0
|
O
|
A:VAL76
|
3.9
|
32.3
|
1.0
|
CA
|
A:THR75
|
3.9
|
32.0
|
1.0
|
N
|
A:VAL76
|
3.9
|
31.8
|
1.0
|
CA
|
A:GLY78
|
4.0
|
31.4
|
1.0
|
CA
|
A:VAL76
|
4.1
|
31.8
|
1.0
|
C
|
A:VAL76
|
4.2
|
32.2
|
1.0
|
N
|
A:GLY78
|
4.2
|
32.1
|
1.0
|
O
|
A:HOH715
|
4.3
|
33.8
|
1.0
|
O
|
A:HOH698
|
4.5
|
15.8
|
0.5
|
O
|
A:HOH698
|
4.6
|
13.1
|
0.5
|
CG
|
A:GLN74
|
4.6
|
34.0
|
1.0
|
N
|
A:GLN74
|
4.7
|
29.6
|
1.0
|
OE1
|
A:GLN74
|
4.8
|
41.7
|
1.0
|
C
|
A:GLY78
|
4.8
|
31.0
|
1.0
|
CD
|
A:GLN74
|
4.8
|
37.2
|
1.0
|
O
|
A:HOH729
|
4.8
|
36.0
|
1.0
|
|
Sodium binding site 2 out
of 4 in 2frs
Go back to
Sodium Binding Sites List in 2frs
Sodium binding site 2 out
of 4 in the Crystal Structure of the F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution
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 F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na502
b:38.9
occ:1.00
|
O
|
A:PRO105
|
2.1
|
27.2
|
1.0
|
O
|
A:HOH716
|
2.4
|
31.3
|
1.0
|
C
|
A:PRO105
|
3.2
|
27.8
|
1.0
|
O
|
A:HOH649
|
3.4
|
49.9
|
1.0
|
N
|
A:PRO105
|
3.5
|
30.7
|
1.0
|
CD
|
A:PRO105
|
3.6
|
30.6
|
1.0
|
O
|
A:HOH659
|
3.7
|
32.5
|
1.0
|
CG2
|
A:THR107
|
3.7
|
22.9
|
1.0
|
O
|
A:HOH658
|
3.7
|
45.5
|
1.0
|
C
|
A:GLY104
|
3.7
|
31.4
|
1.0
|
CG
|
A:PRO105
|
3.8
|
30.7
|
1.0
|
CA
|
A:PRO105
|
3.9
|
29.7
|
1.0
|
OG1
|
A:THR107
|
3.9
|
24.0
|
1.0
|
CA
|
A:GLY104
|
4.0
|
31.9
|
1.0
|
N
|
A:THR107
|
4.1
|
24.1
|
1.0
|
CG
|
A:LEU99
|
4.2
|
28.4
|
1.0
|
N
|
A:LYS106
|
4.3
|
27.2
|
1.0
|
O
|
A:GLY104
|
4.3
|
31.5
|
1.0
|
CD1
|
A:LEU99
|
4.3
|
29.0
|
1.0
|
CB
|
A:THR107
|
4.3
|
21.5
|
1.0
|
CB
|
A:PRO105
|
4.4
|
30.1
|
1.0
|
CG2
|
A:THR75
|
4.4
|
34.5
|
1.0
|
C
|
A:LYS106
|
4.5
|
25.5
|
1.0
|
CA
|
A:LYS106
|
4.5
|
26.4
|
1.0
|
CD2
|
A:LEU99
|
4.7
|
28.2
|
1.0
|
N
|
A:GLY104
|
4.8
|
32.5
|
1.0
|
CA
|
A:THR107
|
4.8
|
22.3
|
1.0
|
OG1
|
A:THR75
|
4.9
|
34.0
|
1.0
|
|
Sodium binding site 3 out
of 4 in 2frs
Go back to
Sodium Binding Sites List in 2frs
Sodium binding site 3 out
of 4 in the Crystal Structure of the F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution
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 F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na503
b:35.1
occ:1.00
|
O
|
A:HOH715
|
2.0
|
33.8
|
1.0
|
O
|
A:HOH700
|
2.2
|
44.9
|
1.0
|
O
|
A:VAL76
|
2.3
|
32.3
|
1.0
|
O
|
A:HOH698
|
2.8
|
13.1
|
0.5
|
NA
|
A:NA501
|
3.0
|
48.0
|
1.0
|
C
|
A:VAL76
|
3.3
|
32.2
|
1.0
|
O
|
A:HOH699
|
3.4
|
40.4
|
1.0
|
O
|
A:THR75
|
3.6
|
30.9
|
1.0
|
O
|
A:HOH698
|
3.7
|
15.8
|
0.5
|
O
|
A:HOH711
|
3.8
|
19.7
|
0.5
|
CA
|
A:VAL76
|
4.0
|
31.8
|
1.0
|
O
|
A:HOH711
|
4.0
|
17.5
|
0.5
|
N
|
A:GLY78
|
4.1
|
32.1
|
1.0
|
CA
|
A:GLY78
|
4.3
|
31.4
|
1.0
|
N
|
A:ASP77
|
4.4
|
32.3
|
1.0
|
C
|
A:ASP77
|
4.4
|
32.5
|
1.0
|
C
|
A:THR75
|
4.6
|
31.9
|
1.0
|
CA
|
A:ASP77
|
4.7
|
32.6
|
1.0
|
N
|
A:VAL76
|
4.8
|
31.8
|
1.0
|
CG1
|
A:VAL76
|
5.0
|
32.2
|
1.0
|
|
Sodium binding site 4 out
of 4 in 2frs
Go back to
Sodium Binding Sites List in 2frs
Sodium binding site 4 out
of 4 in the Crystal Structure of the F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution
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 F15W Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.51 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na504
b:32.1
occ:1.00
|
O
|
A:LEU22
|
2.2
|
25.7
|
1.0
|
O
|
A:GLY23
|
2.6
|
29.4
|
1.0
|
O
|
A:HOH573
|
2.7
|
44.9
|
1.0
|
C
|
A:GLY23
|
3.1
|
30.1
|
1.0
|
C
|
A:LEU22
|
3.2
|
25.9
|
1.0
|
CA
|
A:GLY23
|
3.3
|
28.5
|
1.0
|
O
|
A:LYS20
|
3.3
|
29.4
|
1.0
|
N
|
A:GLY23
|
3.6
|
25.9
|
1.0
|
O
|
A:LEU19
|
4.0
|
32.3
|
1.0
|
N
|
A:VAL24
|
4.1
|
32.2
|
1.0
|
C
|
A:LYS20
|
4.2
|
29.1
|
1.0
|
C
|
A:VAL24
|
4.5
|
33.7
|
1.0
|
CA
|
A:LEU22
|
4.5
|
25.4
|
1.0
|
CA
|
A:LYS20
|
4.6
|
30.4
|
1.0
|
N
|
A:LEU22
|
4.7
|
25.1
|
1.0
|
C
|
A:VAL21
|
4.8
|
26.2
|
1.0
|
CA
|
A:VAL24
|
4.9
|
33.1
|
1.0
|
O
|
A:HOH564
|
4.9
|
37.6
|
1.0
|
O
|
A:VAL21
|
4.9
|
25.9
|
1.0
|
|
Reference:
S.Vaezeslami,
E.Mathes,
C.Vasileiou,
B.Borhan,
J.H.Geiger.
The Structure of Apo-Wild-Type Cellular Retinoic Acid Binding Protein II at 1.4 A and Its Relationship to Ligand Binding and Nuclear Translocation. J.Mol.Biol. V. 363 687 2006.
ISSN: ISSN 0022-2836
PubMed: 16979656
DOI: 10.1016/J.JMB.2006.08.059
Page generated: Mon Oct 7 02:29:10 2024
|