Sodium in PDB 6rf4: Crystal Structure of the Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0
Protein crystallography data
The structure of Crystal Structure of the Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0, PDB code: 6rf4
was solved by
K.Kovalev,
V.Polovinkin,
I.Gushchin,
V.Borshchevskiy,
V.Gordeliy,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.91 /
2.40
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
131.396,
240.045,
135.140,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.1 /
21.2
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of the Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0
(pdb code 6rf4). 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 Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0, PDB code: 6rf4:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
Sodium binding site 1 out
of 5 in 6rf4
Go back to
Sodium Binding Sites List in 6rf4
Sodium binding site 1 out
of 5 in the Crystal Structure of the Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0
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 Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na309
b:47.4
occ:1.00
|
O
|
A:HOH427
|
2.2
|
35.5
|
1.0
|
O
|
A:THR83
|
2.3
|
45.5
|
1.0
|
O
|
A:PHE86
|
2.5
|
44.4
|
1.0
|
OD1
|
B:ASP102
|
2.5
|
53.7
|
1.0
|
OH
|
A:TYR25
|
2.6
|
38.9
|
1.0
|
CG
|
B:ASP102
|
3.2
|
54.3
|
1.0
|
OD2
|
B:ASP102
|
3.2
|
56.5
|
1.0
|
C
|
A:THR83
|
3.4
|
36.5
|
1.0
|
O
|
B:HOH401
|
3.5
|
60.7
|
1.0
|
O
|
A:HOH447
|
3.5
|
58.6
|
1.0
|
CZ
|
A:TYR25
|
3.6
|
37.5
|
1.0
|
O
|
B:HOH415
|
3.6
|
38.2
|
1.0
|
C
|
A:PHE86
|
3.6
|
39.2
|
1.0
|
CA
|
A:THR83
|
3.9
|
40.5
|
1.0
|
CE1
|
A:TYR25
|
4.1
|
36.4
|
1.0
|
CA
|
A:THR87
|
4.2
|
45.5
|
1.0
|
OG1
|
A:THR87
|
4.2
|
53.8
|
1.0
|
CB
|
A:THR83
|
4.3
|
43.9
|
1.0
|
N
|
A:THR87
|
4.3
|
44.2
|
1.0
|
CE2
|
A:TYR25
|
4.5
|
36.1
|
1.0
|
N
|
A:SER84
|
4.6
|
37.9
|
0.5
|
N
|
A:SER84
|
4.6
|
36.6
|
0.5
|
CB
|
B:ASP102
|
4.7
|
50.1
|
1.0
|
N
|
A:PHE86
|
4.8
|
33.8
|
1.0
|
CA
|
A:PHE86
|
4.8
|
36.8
|
1.0
|
CD2
|
A:TYR95
|
4.8
|
37.1
|
1.0
|
CB
|
A:THR87
|
4.8
|
38.1
|
1.0
|
O
|
B:SER100
|
4.9
|
53.3
|
1.0
|
CE2
|
A:TYR95
|
5.0
|
42.3
|
1.0
|
CA
|
A:SER84
|
5.0
|
37.4
|
0.5
|
CA
|
A:SER84
|
5.0
|
35.2
|
0.5
|
|
Sodium binding site 2 out
of 5 in 6rf4
Go back to
Sodium Binding Sites List in 6rf4
Sodium binding site 2 out
of 5 in the Crystal Structure of the Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0
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 Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na307
b:41.2
occ:1.00
|
O
|
B:HOH446
|
2.3
|
46.1
|
1.0
|
OH
|
B:TYR25
|
2.3
|
41.5
|
1.0
|
O
|
B:THR83
|
2.4
|
46.3
|
1.0
|
O
|
B:PHE86
|
2.4
|
42.7
|
1.0
|
OD1
|
C:ASP102
|
2.4
|
49.4
|
1.0
|
O
|
C:HOH445
|
2.9
|
66.1
|
1.0
|
CG
|
C:ASP102
|
3.1
|
53.5
|
1.0
|
OD2
|
C:ASP102
|
3.1
|
51.1
|
1.0
|
CZ
|
B:TYR25
|
3.3
|
38.5
|
1.0
|
C
|
B:THR83
|
3.4
|
38.3
|
1.0
|
C
|
B:PHE86
|
3.6
|
39.2
|
1.0
|
O
|
C:HOH427
|
3.7
|
31.3
|
1.0
|
O
|
C:HOH402
|
3.8
|
63.0
|
1.0
|
CE1
|
B:TYR25
|
3.8
|
40.0
|
1.0
|
CA
|
B:THR83
|
3.8
|
39.1
|
1.0
|
CE2
|
B:TYR25
|
4.2
|
37.1
|
1.0
|
O
|
B:HOH463
|
4.2
|
59.5
|
1.0
|
CA
|
B:THR87
|
4.2
|
42.9
|
1.0
|
CB
|
B:THR83
|
4.2
|
37.0
|
1.0
|
N
|
B:THR87
|
4.4
|
43.3
|
1.0
|
OG1
|
B:THR87
|
4.4
|
53.0
|
1.0
|
CB
|
C:ASP102
|
4.6
|
45.8
|
1.0
|
CD2
|
B:TYR95
|
4.6
|
41.7
|
1.0
|
N
|
B:SER84
|
4.6
|
38.8
|
0.5
|
N
|
B:SER84
|
4.6
|
38.3
|
0.5
|
CA
|
B:PHE86
|
4.7
|
37.9
|
1.0
|
N
|
B:PHE86
|
4.8
|
36.1
|
1.0
|
CE2
|
B:TYR95
|
4.8
|
42.1
|
1.0
|
CB
|
B:THR87
|
5.0
|
40.5
|
1.0
|
CG2
|
B:THR83
|
5.0
|
35.5
|
1.0
|
|
Sodium binding site 3 out
of 5 in 6rf4
Go back to
Sodium Binding Sites List in 6rf4
Sodium binding site 3 out
of 5 in the Crystal Structure of the Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0
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 Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na320
b:40.2
occ:1.00
|
O
|
C:HOH434
|
2.2
|
51.7
|
1.0
|
O
|
C:PHE86
|
2.3
|
39.5
|
1.0
|
O
|
C:THR83
|
2.4
|
37.6
|
1.0
|
OH
|
C:TYR25
|
2.4
|
40.9
|
1.0
|
OD1
|
D:ASP102
|
2.5
|
50.0
|
1.0
|
O
|
D:HOH435
|
2.8
|
58.5
|
1.0
|
CG
|
D:ASP102
|
3.2
|
58.9
|
1.0
|
OD2
|
D:ASP102
|
3.3
|
52.4
|
1.0
|
CZ
|
C:TYR25
|
3.4
|
37.0
|
1.0
|
C
|
C:THR83
|
3.4
|
36.0
|
1.0
|
C
|
C:PHE86
|
3.5
|
46.3
|
1.0
|
O
|
D:HOH421
|
3.6
|
38.2
|
1.0
|
CA
|
C:THR83
|
3.8
|
37.4
|
1.0
|
CE1
|
C:TYR25
|
3.9
|
38.8
|
1.0
|
O
|
C:HOH461
|
4.0
|
50.0
|
1.0
|
CA
|
C:THR87
|
4.1
|
42.9
|
1.0
|
CB
|
C:THR83
|
4.3
|
37.5
|
1.0
|
N
|
C:THR87
|
4.3
|
47.7
|
1.0
|
OG1
|
C:THR87
|
4.3
|
60.0
|
1.0
|
O
|
D:HOH403
|
4.3
|
48.4
|
1.0
|
CE2
|
C:TYR25
|
4.3
|
35.6
|
1.0
|
N
|
C:SER84
|
4.6
|
37.7
|
0.5
|
N
|
C:SER84
|
4.6
|
36.2
|
0.5
|
CA
|
C:PHE86
|
4.7
|
41.0
|
1.0
|
CD2
|
C:TYR95
|
4.7
|
40.0
|
1.0
|
N
|
C:PHE86
|
4.7
|
34.4
|
1.0
|
CB
|
D:ASP102
|
4.7
|
49.8
|
1.0
|
CE2
|
C:TYR95
|
4.8
|
42.3
|
1.0
|
CB
|
C:THR87
|
4.9
|
48.0
|
1.0
|
|
Sodium binding site 4 out
of 5 in 6rf4
Go back to
Sodium Binding Sites List in 6rf4
Sodium binding site 4 out
of 5 in the Crystal Structure of the Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0
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 Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na310
b:46.4
occ:1.00
|
O
|
D:HOH423
|
2.2
|
48.9
|
1.0
|
O
|
D:THR83
|
2.2
|
45.8
|
1.0
|
O
|
D:PHE86
|
2.5
|
44.7
|
1.0
|
OH
|
D:TYR25
|
2.5
|
39.6
|
1.0
|
OD1
|
E:ASP102
|
2.5
|
52.9
|
1.0
|
OD2
|
E:ASP102
|
3.1
|
61.9
|
1.0
|
CG
|
E:ASP102
|
3.2
|
49.1
|
1.0
|
C
|
D:THR83
|
3.3
|
37.8
|
1.0
|
CZ
|
D:TYR25
|
3.5
|
34.4
|
1.0
|
C
|
D:PHE86
|
3.6
|
35.0
|
1.0
|
CA
|
D:THR83
|
3.8
|
40.0
|
1.0
|
O
|
E:HOH414
|
3.8
|
36.1
|
1.0
|
O
|
D:HOH454
|
4.0
|
64.9
|
1.0
|
CE1
|
D:TYR25
|
4.0
|
34.9
|
1.0
|
CB
|
D:THR83
|
4.2
|
39.9
|
1.0
|
CA
|
D:THR87
|
4.2
|
42.4
|
1.0
|
OG1
|
D:THR87
|
4.3
|
51.4
|
1.0
|
N
|
D:THR87
|
4.4
|
38.5
|
1.0
|
CE2
|
D:TYR25
|
4.4
|
39.3
|
1.0
|
O
|
E:HOH406
|
4.4
|
63.4
|
1.0
|
N
|
D:SER84
|
4.5
|
36.8
|
0.5
|
N
|
D:SER84
|
4.5
|
35.2
|
0.5
|
CB
|
E:ASP102
|
4.6
|
43.0
|
1.0
|
N
|
D:PHE86
|
4.7
|
34.5
|
1.0
|
CA
|
D:PHE86
|
4.7
|
35.3
|
1.0
|
CD2
|
D:TYR95
|
4.8
|
37.6
|
1.0
|
CB
|
D:THR87
|
4.9
|
40.1
|
1.0
|
CA
|
D:SER84
|
4.9
|
38.1
|
0.5
|
CE2
|
D:TYR95
|
4.9
|
41.3
|
1.0
|
CA
|
D:SER84
|
5.0
|
35.4
|
0.5
|
CG2
|
D:THR83
|
5.0
|
38.4
|
1.0
|
|
Sodium binding site 5 out
of 5 in 6rf4
Go back to
Sodium Binding Sites List in 6rf4
Sodium binding site 5 out
of 5 in the Crystal Structure of the Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0
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 Potassium-Pumping S254A Mutant of the Light- Driven Sodium Pump KR2 in the Pentameric Form, pH 8.0 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Na309
b:38.3
occ:1.00
|
O
|
E:HOH433
|
2.3
|
46.3
|
1.0
|
O
|
E:PHE86
|
2.4
|
38.3
|
1.0
|
O
|
E:THR83
|
2.4
|
49.8
|
1.0
|
OH
|
E:TYR25
|
2.5
|
42.6
|
1.0
|
OD1
|
A:ASP102
|
2.5
|
49.7
|
1.0
|
OD2
|
A:ASP102
|
3.1
|
50.4
|
1.0
|
CG
|
A:ASP102
|
3.2
|
48.0
|
1.0
|
CZ
|
E:TYR25
|
3.4
|
41.6
|
1.0
|
C
|
E:THR83
|
3.4
|
39.9
|
1.0
|
C
|
E:PHE86
|
3.6
|
39.0
|
1.0
|
O
|
A:HOH414
|
3.6
|
34.6
|
1.0
|
CA
|
E:THR83
|
3.9
|
41.2
|
1.0
|
CE1
|
E:TYR25
|
4.0
|
37.5
|
1.0
|
CA
|
E:THR87
|
4.1
|
43.0
|
1.0
|
OG1
|
E:THR87
|
4.3
|
49.6
|
1.0
|
N
|
E:THR87
|
4.3
|
42.2
|
1.0
|
CB
|
E:THR83
|
4.3
|
34.2
|
1.0
|
CE2
|
E:TYR25
|
4.4
|
37.7
|
1.0
|
N
|
E:SER84
|
4.6
|
39.5
|
0.5
|
N
|
E:SER84
|
4.6
|
37.9
|
0.5
|
CB
|
A:ASP102
|
4.7
|
37.3
|
1.0
|
CA
|
E:PHE86
|
4.7
|
36.5
|
1.0
|
CD2
|
E:TYR95
|
4.7
|
38.1
|
1.0
|
N
|
E:PHE86
|
4.7
|
35.0
|
1.0
|
CB
|
E:THR87
|
4.9
|
41.5
|
1.0
|
CE2
|
E:TYR95
|
4.9
|
37.4
|
1.0
|
O
|
A:SER100
|
5.0
|
44.5
|
1.0
|
|
Reference:
K.Kovalev,
V.Polovinkin,
I.Gushchin,
A.Alekseev,
V.Shevchenko,
V.Borshchevskiy,
R.Astashkin,
T.Balandin,
D.Bratanov,
S.Vaganova,
A.Popov,
V.Chupin,
G.Buldt,
E.Bamberg,
V.Gordeliy.
Structure and Mechanisms of Sodium-Pumping KR2 Rhodopsin. Sci Adv V. 5 V2671 2019.
ISSN: ESSN 2375-2548
PubMed: 30989112
DOI: 10.1126/SCIADV.AAV2671
Page generated: Tue Oct 8 13:08:26 2024
|