Fluorine in PDB 2zxe: Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State
Protein crystallography data
The structure of Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State, PDB code: 2zxe
was solved by
T.Shinoda,
H.Ogawa,
F.Cornelius,
C.Toyoshima,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
15.00 /
2.40
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
223.815,
50.914,
163.786,
90.00,
105.12,
90.00
|
R / Rfree (%)
|
24.6 /
27.1
|
Other elements in 2zxe:
The structure of Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State
(pdb code 2zxe). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the
Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State, PDB code: 2zxe:
Jump to Fluorine binding site number:
1;
2;
3;
4;
Fluorine binding site 1 out
of 4 in 2zxe
Go back to
Fluorine Binding Sites List in 2zxe
Fluorine binding site 1 out
of 4 in the Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2001
b:31.8
occ:1.00
|
F1
|
A:MF42001
|
0.0
|
31.8
|
1.0
|
MG
|
A:MF42001
|
2.0
|
32.4
|
1.0
|
OD2
|
A:ASP376
|
2.4
|
25.3
|
1.0
|
NZ
|
A:LYS698
|
2.7
|
28.1
|
1.0
|
ND2
|
A:ASN720
|
2.9
|
28.3
|
1.0
|
N
|
A:GLY618
|
3.1
|
24.9
|
1.0
|
F2
|
A:MF42001
|
3.2
|
31.1
|
1.0
|
F4
|
A:MF42001
|
3.2
|
29.8
|
1.0
|
F3
|
A:MF42001
|
3.3
|
33.0
|
1.0
|
O
|
A:THR219
|
3.4
|
28.3
|
1.0
|
CE
|
A:LYS698
|
3.6
|
28.6
|
1.0
|
CG
|
A:ASP376
|
3.6
|
26.4
|
1.0
|
CA
|
A:THR617
|
3.7
|
24.4
|
1.0
|
O
|
A:HOH5055
|
3.9
|
20.4
|
1.0
|
C
|
A:THR617
|
3.9
|
24.5
|
1.0
|
OG1
|
A:THR617
|
3.9
|
24.6
|
1.0
|
CG
|
A:ASN720
|
4.0
|
29.3
|
1.0
|
CA
|
A:GLY618
|
4.0
|
25.3
|
1.0
|
OD1
|
A:ASN720
|
4.2
|
29.4
|
1.0
|
OD1
|
A:ASP721
|
4.3
|
31.9
|
1.0
|
CB
|
A:THR617
|
4.3
|
24.3
|
1.0
|
OD1
|
A:ASP376
|
4.3
|
25.8
|
1.0
|
O
|
A:VAL616
|
4.3
|
25.6
|
1.0
|
C
|
A:THR219
|
4.3
|
28.7
|
1.0
|
CA
|
A:GLY220
|
4.4
|
28.0
|
1.0
|
CB
|
A:ASP376
|
4.6
|
26.2
|
1.0
|
MG
|
A:MG2002
|
4.6
|
26.6
|
1.0
|
N
|
A:GLY220
|
4.8
|
28.1
|
1.0
|
N
|
A:THR617
|
4.8
|
24.8
|
1.0
|
CD
|
A:LYS698
|
4.9
|
28.7
|
1.0
|
N
|
A:ASP619
|
4.9
|
26.4
|
1.0
|
C
|
A:GLY618
|
5.0
|
25.9
|
1.0
|
CA
|
A:ASP376
|
5.0
|
26.3
|
1.0
|
|
Fluorine binding site 2 out
of 4 in 2zxe
Go back to
Fluorine Binding Sites List in 2zxe
Fluorine binding site 2 out
of 4 in the Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2001
b:31.1
occ:1.00
|
F2
|
A:MF42001
|
0.0
|
31.1
|
1.0
|
MG
|
A:MG2002
|
1.9
|
26.6
|
1.0
|
MG
|
A:MF42001
|
2.0
|
32.4
|
1.0
|
OD2
|
A:ASP376
|
2.6
|
25.3
|
1.0
|
O
|
A:HOH5058
|
2.7
|
23.2
|
1.0
|
OD1
|
A:ASP376
|
2.7
|
25.8
|
1.0
|
O
|
A:HOH5055
|
2.8
|
20.4
|
1.0
|
O
|
A:THR378
|
2.9
|
25.2
|
1.0
|
CG
|
A:ASP376
|
3.1
|
26.4
|
1.0
|
F4
|
A:MF42001
|
3.2
|
29.8
|
1.0
|
F1
|
A:MF42001
|
3.2
|
31.8
|
1.0
|
CB
|
A:THR378
|
3.2
|
25.4
|
1.0
|
F3
|
A:MF42001
|
3.4
|
33.0
|
1.0
|
N
|
A:THR378
|
3.5
|
25.0
|
1.0
|
O
|
A:GLY220
|
3.5
|
28.0
|
1.0
|
CA
|
A:THR378
|
3.6
|
25.3
|
1.0
|
C
|
A:THR378
|
3.6
|
25.6
|
1.0
|
CA
|
A:GLY220
|
3.7
|
28.0
|
1.0
|
OD2
|
A:ASP717
|
3.8
|
29.9
|
1.0
|
C
|
A:GLY220
|
4.0
|
28.2
|
1.0
|
OG1
|
A:THR378
|
4.1
|
25.7
|
1.0
|
CG2
|
A:THR378
|
4.2
|
23.4
|
1.0
|
C
|
A:LYS377
|
4.5
|
25.2
|
1.0
|
O
|
A:THR219
|
4.5
|
28.3
|
1.0
|
CB
|
A:ASP376
|
4.6
|
26.2
|
1.0
|
N
|
A:LYS377
|
4.6
|
25.7
|
1.0
|
OE1
|
A:GLU221
|
4.7
|
31.4
|
1.0
|
OD1
|
A:ASN720
|
4.8
|
29.4
|
1.0
|
CG
|
A:ASP717
|
4.9
|
29.0
|
1.0
|
N
|
A:GLY220
|
4.9
|
28.1
|
1.0
|
N
|
A:GLY379
|
4.9
|
25.9
|
1.0
|
ND2
|
A:ASN720
|
4.9
|
28.3
|
1.0
|
OD2
|
A:ASP721
|
5.0
|
31.2
|
1.0
|
|
Fluorine binding site 3 out
of 4 in 2zxe
Go back to
Fluorine Binding Sites List in 2zxe
Fluorine binding site 3 out
of 4 in the Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2001
b:33.0
occ:1.00
|
F3
|
A:MF42001
|
0.0
|
33.0
|
1.0
|
MG
|
A:MF42001
|
2.0
|
32.4
|
1.0
|
OE1
|
A:GLU221
|
2.4
|
31.4
|
1.0
|
O
|
A:THR219
|
2.6
|
28.3
|
1.0
|
CD
|
A:GLU221
|
3.3
|
30.7
|
1.0
|
F1
|
A:MF42001
|
3.3
|
31.8
|
1.0
|
F4
|
A:MF42001
|
3.3
|
29.8
|
1.0
|
N
|
A:ASP619
|
3.3
|
26.4
|
1.0
|
OG1
|
A:THR617
|
3.3
|
24.6
|
1.0
|
CG
|
A:GLU221
|
3.4
|
30.1
|
1.0
|
F2
|
A:MF42001
|
3.4
|
31.1
|
1.0
|
N
|
A:GLY618
|
3.7
|
24.9
|
1.0
|
C
|
A:GLY220
|
3.7
|
28.2
|
1.0
|
C
|
A:THR219
|
3.7
|
28.7
|
1.0
|
OG1
|
A:THR378
|
3.8
|
25.7
|
1.0
|
CB
|
A:ASP619
|
3.8
|
26.9
|
1.0
|
C
|
A:GLY618
|
3.8
|
25.9
|
1.0
|
CA
|
A:GLY220
|
3.9
|
28.0
|
1.0
|
CA
|
A:GLY618
|
3.9
|
25.3
|
1.0
|
CA
|
A:ASP619
|
4.0
|
27.1
|
1.0
|
O
|
A:GLY220
|
4.0
|
28.0
|
1.0
|
N
|
A:GLU221
|
4.0
|
28.8
|
1.0
|
CB
|
A:THR378
|
4.0
|
25.4
|
1.0
|
N
|
A:GLY220
|
4.3
|
28.1
|
1.0
|
OE2
|
A:GLU221
|
4.4
|
32.2
|
1.0
|
OD2
|
A:ASP376
|
4.5
|
25.3
|
1.0
|
CB
|
A:GLU221
|
4.5
|
29.7
|
1.0
|
CG
|
A:ASP619
|
4.6
|
27.6
|
1.0
|
CB
|
A:THR617
|
4.6
|
24.3
|
1.0
|
CA
|
A:GLU221
|
4.6
|
29.6
|
1.0
|
O
|
A:GLY618
|
4.6
|
26.4
|
1.0
|
C
|
A:THR617
|
4.7
|
24.5
|
1.0
|
N
|
A:THR378
|
4.9
|
25.0
|
1.0
|
CA
|
A:THR219
|
4.9
|
28.9
|
1.0
|
CA
|
A:THR617
|
4.9
|
24.4
|
1.0
|
CG2
|
A:THR378
|
5.0
|
23.4
|
1.0
|
|
Fluorine binding site 4 out
of 4 in 2zxe
Go back to
Fluorine Binding Sites List in 2zxe
Fluorine binding site 4 out
of 4 in the Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of the Sodium - Potassium Pump in the E2.2K+.Pi State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2001
b:29.8
occ:1.00
|
F4
|
A:MF42001
|
0.0
|
29.8
|
1.0
|
MG
|
A:MF42001
|
2.0
|
32.4
|
1.0
|
OD2
|
A:ASP376
|
2.5
|
25.3
|
1.0
|
OG1
|
A:THR617
|
2.6
|
24.6
|
1.0
|
N
|
A:LYS377
|
2.6
|
25.7
|
1.0
|
N
|
A:THR378
|
2.8
|
25.0
|
1.0
|
CB
|
A:THR617
|
3.0
|
24.3
|
1.0
|
CB
|
A:LYS377
|
3.1
|
25.1
|
1.0
|
F2
|
A:MF42001
|
3.2
|
31.1
|
1.0
|
CA
|
A:LYS377
|
3.2
|
25.3
|
1.0
|
F1
|
A:MF42001
|
3.2
|
31.8
|
1.0
|
F3
|
A:MF42001
|
3.3
|
33.0
|
1.0
|
CG
|
A:ASP376
|
3.3
|
26.4
|
1.0
|
C
|
A:LYS377
|
3.5
|
25.2
|
1.0
|
CA
|
A:THR617
|
3.7
|
24.4
|
1.0
|
C
|
A:ASP376
|
3.8
|
26.1
|
1.0
|
OD1
|
A:ASP376
|
3.9
|
25.8
|
1.0
|
OG1
|
A:THR378
|
3.9
|
25.7
|
1.0
|
CA
|
A:THR378
|
4.0
|
25.3
|
1.0
|
CB
|
A:THR378
|
4.0
|
25.4
|
1.0
|
CA
|
A:ASP376
|
4.1
|
26.3
|
1.0
|
CG
|
A:LYS377
|
4.2
|
24.7
|
1.0
|
N
|
A:GLY618
|
4.3
|
24.9
|
1.0
|
CB
|
A:ASP376
|
4.3
|
26.2
|
1.0
|
CG2
|
A:THR617
|
4.3
|
24.1
|
1.0
|
O
|
A:VAL616
|
4.5
|
25.6
|
1.0
|
C
|
A:THR617
|
4.5
|
24.5
|
1.0
|
OE1
|
A:GLU221
|
4.5
|
31.4
|
1.0
|
MG
|
A:MG2002
|
4.6
|
26.6
|
1.0
|
CE
|
A:LYS377
|
4.6
|
26.4
|
1.0
|
O
|
A:LYS377
|
4.7
|
25.2
|
1.0
|
N
|
A:THR617
|
4.8
|
24.8
|
1.0
|
NZ
|
A:LYS698
|
4.8
|
28.1
|
1.0
|
O
|
A:THR378
|
4.8
|
25.2
|
1.0
|
O
|
A:ASP376
|
4.9
|
26.2
|
1.0
|
CD
|
A:LYS377
|
4.9
|
25.1
|
1.0
|
C
|
A:THR378
|
4.9
|
25.6
|
1.0
|
N
|
A:ASP619
|
4.9
|
26.4
|
1.0
|
C
|
A:VAL616
|
5.0
|
25.3
|
1.0
|
|
Reference:
T.Shinoda,
H.Ogawa,
F.Cornelius,
C.Toyoshima.
Crystal Structure of the Sodium - Potassium Pump at 2.4 A Resolution Nature V. 459 446 2009.
ISSN: ISSN 0028-0836
PubMed: 19458722
DOI: 10.1038/NATURE07939
Page generated: Wed Jul 31 17:01:55 2024
|