Fluorine in PDB 7x20: Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State
Enzymatic activity of Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State
All present enzymatic activity of Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State:
7.2.2.13;
7.2.2.19;
Protein crystallography data
The structure of Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State, PDB code: 7x20
was solved by
H.Nakanishi,
K.Abe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.06 /
3.30
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
75.97,
109.06,
267.67,
90,
90,
90
|
R / Rfree (%)
|
26.5 /
31.6
|
Other elements in 7x20:
The structure of Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State
(pdb code 7x20). 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 Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State, PDB code: 7x20:
Jump to Fluorine binding site number:
1;
2;
3;
4;
Fluorine binding site 1 out
of 4 in 7x20
Go back to
Fluorine Binding Sites List in 7x20
Fluorine binding site 1 out
of 4 in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf 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 Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1101
b:21.5
occ:1.00
|
F1
|
A:ALF1101
|
0.0
|
21.5
|
1.0
|
AL
|
A:ALF1101
|
1.8
|
25.1
|
1.0
|
OD2
|
A:ASP388
|
2.0
|
23.9
|
1.0
|
O
|
A:THR390
|
2.2
|
25.3
|
1.0
|
F4
|
A:ALF1101
|
2.4
|
26.6
|
1.0
|
OD1
|
A:ASP729
|
2.4
|
26.0
|
1.0
|
OG1
|
A:THR390
|
2.6
|
28.5
|
1.0
|
F3
|
A:ALF1101
|
2.7
|
24.9
|
1.0
|
CG
|
A:ASP388
|
3.0
|
23.8
|
1.0
|
C
|
A:THR390
|
3.2
|
26.0
|
1.0
|
OD1
|
A:ASP388
|
3.3
|
24.1
|
1.0
|
CG
|
A:ASP729
|
3.3
|
27.0
|
1.0
|
OD2
|
A:ASP729
|
3.5
|
29.9
|
1.0
|
CB
|
A:THR390
|
3.5
|
26.8
|
1.0
|
F2
|
A:ALF1101
|
3.6
|
19.2
|
1.0
|
N
|
A:THR390
|
3.6
|
26.3
|
1.0
|
CA
|
A:THR390
|
3.6
|
26.6
|
1.0
|
O
|
A:GLY232
|
4.1
|
35.6
|
1.0
|
CB
|
A:ASP388
|
4.3
|
23.5
|
1.0
|
N
|
A:GLY391
|
4.4
|
27.8
|
1.0
|
CA
|
A:GLY232
|
4.4
|
31.9
|
1.0
|
OD2
|
A:ASP733
|
4.4
|
23.1
|
1.0
|
C
|
A:LYS389
|
4.5
|
26.4
|
1.0
|
C
|
A:GLY232
|
4.7
|
33.3
|
1.0
|
CB
|
A:ASP729
|
4.7
|
21.1
|
1.0
|
N
|
A:LYS389
|
4.8
|
25.3
|
1.0
|
CG2
|
A:THR390
|
4.8
|
27.7
|
1.0
|
CA
|
A:GLY391
|
4.9
|
26.2
|
1.0
|
|
Fluorine binding site 2 out
of 4 in 7x20
Go back to
Fluorine Binding Sites List in 7x20
Fluorine binding site 2 out
of 4 in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf 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 Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1101
b:19.2
occ:1.00
|
F2
|
A:ALF1101
|
0.0
|
19.2
|
1.0
|
AL
|
A:ALF1101
|
1.8
|
25.1
|
1.0
|
OD1
|
A:ASP388
|
2.4
|
24.1
|
1.0
|
F3
|
A:ALF1101
|
2.4
|
24.9
|
1.0
|
OG1
|
A:THR629
|
2.4
|
24.0
|
1.0
|
F4
|
A:ALF1101
|
2.7
|
26.6
|
1.0
|
O
|
A:THR231
|
3.1
|
27.4
|
1.0
|
N
|
A:GLY630
|
3.2
|
23.7
|
1.0
|
ND2
|
A:ASN732
|
3.4
|
23.0
|
1.0
|
CG
|
A:ASP388
|
3.4
|
23.8
|
1.0
|
CB
|
A:THR629
|
3.4
|
24.2
|
1.0
|
CA
|
A:THR629
|
3.6
|
24.5
|
1.0
|
F1
|
A:ALF1101
|
3.6
|
21.5
|
1.0
|
OD2
|
A:ASP388
|
3.8
|
23.9
|
1.0
|
C
|
A:THR629
|
3.9
|
24.0
|
1.0
|
OG1
|
A:THR390
|
4.0
|
28.5
|
1.0
|
C
|
A:THR231
|
4.2
|
28.5
|
1.0
|
CA
|
A:GLY630
|
4.2
|
24.1
|
1.0
|
OE2
|
A:GLU233
|
4.3
|
34.7
|
1.0
|
CG
|
A:ASN732
|
4.4
|
22.9
|
1.0
|
NZ
|
A:LYS710
|
4.5
|
20.2
|
1.0
|
CA
|
A:GLY232
|
4.5
|
31.9
|
1.0
|
CE
|
A:LYS710
|
4.5
|
19.9
|
1.0
|
OD1
|
A:ASN732
|
4.7
|
24.9
|
1.0
|
CB
|
A:ASP388
|
4.7
|
23.5
|
1.0
|
O
|
A:VAL628
|
4.8
|
22.2
|
1.0
|
N
|
A:GLY232
|
4.8
|
28.8
|
1.0
|
N
|
A:LYS389
|
4.8
|
25.3
|
1.0
|
CG2
|
A:THR629
|
4.8
|
25.5
|
1.0
|
N
|
A:THR629
|
4.9
|
23.8
|
1.0
|
|
Fluorine binding site 3 out
of 4 in 7x20
Go back to
Fluorine Binding Sites List in 7x20
Fluorine binding site 3 out
of 4 in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf 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 Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1101
b:24.9
occ:1.00
|
F3
|
A:ALF1101
|
0.0
|
24.9
|
1.0
|
AL
|
A:ALF1101
|
1.8
|
25.1
|
1.0
|
OD1
|
A:ASP388
|
2.3
|
24.1
|
1.0
|
F2
|
A:ALF1101
|
2.4
|
19.2
|
1.0
|
OG1
|
A:THR390
|
2.4
|
28.5
|
1.0
|
OG1
|
A:THR629
|
2.6
|
24.0
|
1.0
|
F1
|
A:ALF1101
|
2.7
|
21.5
|
1.0
|
N
|
A:THR390
|
2.7
|
26.3
|
1.0
|
CG
|
A:ASP388
|
2.8
|
23.8
|
1.0
|
OD2
|
A:ASP388
|
2.9
|
23.9
|
1.0
|
N
|
A:LYS389
|
3.1
|
25.3
|
1.0
|
CG
|
A:LYS389
|
3.3
|
27.3
|
1.0
|
CB
|
A:THR629
|
3.5
|
24.2
|
1.0
|
C
|
A:LYS389
|
3.5
|
26.4
|
1.0
|
CB
|
A:THR390
|
3.5
|
26.8
|
1.0
|
CA
|
A:THR390
|
3.6
|
26.6
|
1.0
|
F4
|
A:ALF1101
|
3.6
|
26.6
|
1.0
|
CA
|
A:LYS389
|
3.6
|
26.2
|
1.0
|
O
|
A:THR390
|
3.7
|
25.3
|
1.0
|
CB
|
A:LYS389
|
3.9
|
27.1
|
1.0
|
C
|
A:ASP388
|
4.0
|
24.7
|
1.0
|
OE2
|
A:GLU233
|
4.0
|
34.7
|
1.0
|
CB
|
A:ASP388
|
4.1
|
23.5
|
1.0
|
C
|
A:THR390
|
4.1
|
26.0
|
1.0
|
CG2
|
A:THR390
|
4.1
|
27.7
|
1.0
|
CA
|
A:ASP388
|
4.3
|
23.9
|
1.0
|
CA
|
A:THR629
|
4.4
|
24.5
|
1.0
|
O
|
A:LYS389
|
4.6
|
26.9
|
1.0
|
CG2
|
A:THR629
|
4.6
|
25.5
|
1.0
|
CD
|
A:LYS389
|
4.7
|
31.7
|
1.0
|
O
|
A:THR231
|
4.7
|
27.4
|
1.0
|
N
|
A:GLY630
|
4.8
|
23.7
|
1.0
|
OD1
|
A:ASP729
|
4.9
|
26.0
|
1.0
|
|
Fluorine binding site 4 out
of 4 in 7x20
Go back to
Fluorine Binding Sites List in 7x20
Fluorine binding site 4 out
of 4 in the Crystal Structure of Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf 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 Non Gastric H,K-Atpase ALPHA2 in (K+)E2-Alf State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1101
b:26.6
occ:1.00
|
F4
|
A:ALF1101
|
0.0
|
26.6
|
1.0
|
AL
|
A:ALF1101
|
1.8
|
25.1
|
1.0
|
F1
|
A:ALF1101
|
2.4
|
21.5
|
1.0
|
F2
|
A:ALF1101
|
2.7
|
19.2
|
1.0
|
ND2
|
A:ASN732
|
3.0
|
23.0
|
1.0
|
OD1
|
A:ASN732
|
3.1
|
24.9
|
1.0
|
CA
|
A:GLY232
|
3.1
|
31.9
|
1.0
|
OD2
|
A:ASP388
|
3.1
|
23.9
|
1.0
|
OD1
|
A:ASP388
|
3.3
|
24.1
|
1.0
|
CG
|
A:ASN732
|
3.4
|
22.9
|
1.0
|
OD1
|
A:ASP729
|
3.5
|
26.0
|
1.0
|
O
|
A:THR231
|
3.5
|
27.4
|
1.0
|
CG
|
A:ASP388
|
3.5
|
23.8
|
1.0
|
F3
|
A:ALF1101
|
3.6
|
24.9
|
1.0
|
OD2
|
A:ASP733
|
3.6
|
23.1
|
1.0
|
N
|
A:GLY232
|
3.9
|
28.8
|
1.0
|
C
|
A:THR231
|
4.0
|
28.5
|
1.0
|
OG1
|
A:THR390
|
4.1
|
28.5
|
1.0
|
C
|
A:GLY232
|
4.1
|
33.3
|
1.0
|
O
|
A:GLY232
|
4.2
|
35.6
|
1.0
|
CG
|
A:ASP733
|
4.5
|
23.2
|
1.0
|
CG
|
A:ASP729
|
4.6
|
27.0
|
1.0
|
O
|
A:THR390
|
4.6
|
25.3
|
1.0
|
CA
|
A:GLY730
|
4.7
|
20.8
|
1.0
|
OD1
|
A:ASP733
|
4.8
|
23.9
|
1.0
|
N
|
A:GLY730
|
4.8
|
20.8
|
1.0
|
CB
|
A:ASN732
|
4.9
|
23.4
|
1.0
|
OD2
|
A:ASP729
|
4.9
|
29.9
|
1.0
|
OG1
|
A:THR629
|
5.0
|
24.0
|
1.0
|
CB
|
A:ASP388
|
5.0
|
23.5
|
1.0
|
|
Reference:
V.C.Young,
H.Nakanishi,
D.J.Meyer,
T.Nishizawa,
A.Oshima,
P.Artigas,
K.Abe.
Structure and Function of H + /K + Pump Mutants Reveal Na + /K + Pump Mechanisms. Nat Commun V. 13 5270 2022.
ISSN: ESSN 2041-1723
PubMed: 36085139
DOI: 10.1038/S41467-022-32793-0
Page generated: Fri Aug 2 15:01:16 2024
|