Potassium in PDB 4le2: Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
Protein crystallography data
The structure of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State, PDB code: 4le2
was solved by
F.Trajtenberg,
N.Larrieux,
A.Buschiazzo,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.81 /
2.54
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
43.350,
63.850,
121.610,
90.00,
97.84,
90.00
|
R / Rfree (%)
|
18.4 /
22
|
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
(pdb code 4le2). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the
Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State, PDB code: 4le2:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Potassium binding site 1 out
of 8 in 4le2
Go back to
Potassium Binding Sites List in 4le2
Potassium binding site 1 out
of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K202
b:38.9
occ:1.00
|
O
|
A:MET27
|
2.6
|
37.1
|
1.0
|
O
|
A:GLU24
|
2.6
|
42.4
|
1.0
|
O
|
A:ASN22
|
2.6
|
41.5
|
1.0
|
C
|
A:ASN22
|
3.7
|
39.9
|
1.0
|
C
|
A:GLU24
|
3.8
|
45.2
|
1.0
|
C
|
A:MET27
|
3.8
|
36.6
|
1.0
|
CA
|
A:ASN22
|
4.2
|
31.6
|
1.0
|
N
|
A:MET27
|
4.5
|
36.5
|
1.0
|
N
|
A:GLU24
|
4.5
|
40.7
|
1.0
|
O
|
A:ASP25
|
4.5
|
49.0
|
1.0
|
CA
|
A:ASP25
|
4.5
|
48.2
|
1.0
|
C
|
A:ASP25
|
4.6
|
48.3
|
1.0
|
N
|
A:ASP25
|
4.6
|
46.1
|
1.0
|
CE
|
A:MET1
|
4.6
|
57.5
|
1.0
|
C
|
A:LEU23
|
4.7
|
47.1
|
1.0
|
CA
|
A:MET27
|
4.7
|
33.6
|
1.0
|
N
|
A:LEU23
|
4.7
|
38.6
|
1.0
|
OD1
|
A:ASN22
|
4.7
|
37.3
|
1.0
|
N
|
A:GLU28
|
4.8
|
32.4
|
1.0
|
CA
|
A:GLU24
|
4.8
|
40.1
|
1.0
|
O
|
A:LEU21
|
4.8
|
29.3
|
1.0
|
CA
|
A:GLU28
|
4.8
|
31.6
|
1.0
|
SD
|
A:MET1
|
4.9
|
61.5
|
1.0
|
CB
|
A:ASN22
|
5.0
|
33.5
|
1.0
|
|
Potassium binding site 2 out
of 8 in 4le2
Go back to
Potassium Binding Sites List in 4le2
Potassium binding site 2 out
of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K203
b:56.2
occ:1.00
|
OE1
|
A:GLU56
|
2.8
|
67.0
|
1.0
|
OG1
|
A:THR81
|
3.0
|
32.6
|
1.0
|
OD1
|
A:ASP54
|
3.3
|
34.2
|
1.0
|
CG
|
A:GLU56
|
3.3
|
49.4
|
1.0
|
CD
|
A:GLU56
|
3.3
|
76.5
|
1.0
|
N
|
A:THR81
|
3.5
|
19.6
|
1.0
|
NZ
|
A:LYS102
|
3.6
|
32.0
|
1.0
|
CB
|
A:THR81
|
3.6
|
21.2
|
1.0
|
NH1
|
A:ARG84
|
3.7
|
14.6
|
1.0
|
O
|
A:HOH342
|
3.7
|
13.8
|
1.0
|
OD2
|
A:ASP54
|
3.8
|
43.5
|
1.0
|
CG
|
A:ASP54
|
3.9
|
33.7
|
1.0
|
NH2
|
A:ARG84
|
4.2
|
20.1
|
1.0
|
CA
|
A:THR81
|
4.2
|
19.4
|
1.0
|
CE
|
A:LYS102
|
4.3
|
26.1
|
1.0
|
OE2
|
A:GLU56
|
4.3
|
75.4
|
1.0
|
CZ
|
A:ARG84
|
4.4
|
25.1
|
1.0
|
C
|
A:THR80
|
4.4
|
21.0
|
1.0
|
CA
|
A:THR80
|
4.5
|
15.5
|
1.0
|
O
|
A:HOH335
|
4.5
|
41.9
|
1.0
|
CB
|
A:GLU56
|
4.8
|
33.6
|
1.0
|
CG2
|
A:ILE55
|
4.8
|
26.9
|
1.0
|
CD
|
A:LYS102
|
4.8
|
25.3
|
1.0
|
CG2
|
A:THR81
|
4.9
|
15.7
|
1.0
|
OG1
|
A:THR80
|
4.9
|
28.9
|
1.0
|
|
Potassium binding site 3 out
of 8 in 4le2
Go back to
Potassium Binding Sites List in 4le2
Potassium binding site 3 out
of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K202
b:44.6
occ:1.00
|
O
|
B:ASN22
|
2.6
|
36.8
|
1.0
|
O
|
B:MET27
|
2.6
|
33.7
|
1.0
|
O
|
B:GLU24
|
2.8
|
39.0
|
1.0
|
C
|
B:ASN22
|
3.6
|
36.4
|
1.0
|
C
|
B:MET27
|
3.8
|
32.9
|
1.0
|
C
|
B:GLU24
|
3.9
|
40.0
|
1.0
|
CA
|
B:ASN22
|
4.1
|
32.0
|
1.0
|
OD1
|
B:ASN22
|
4.5
|
40.1
|
1.0
|
N
|
B:MET27
|
4.6
|
32.4
|
1.0
|
N
|
B:GLU24
|
4.6
|
35.8
|
1.0
|
O
|
B:ASP25
|
4.6
|
46.4
|
1.0
|
CA
|
B:ASP25
|
4.7
|
41.5
|
1.0
|
C
|
B:ASP25
|
4.7
|
44.5
|
1.0
|
N
|
B:ASP25
|
4.7
|
39.6
|
1.0
|
N
|
B:LEU23
|
4.7
|
33.9
|
1.0
|
N
|
B:GLU28
|
4.7
|
27.8
|
1.0
|
CA
|
B:MET27
|
4.7
|
29.8
|
1.0
|
CA
|
B:GLU28
|
4.7
|
27.7
|
1.0
|
C
|
B:LEU23
|
4.8
|
42.1
|
1.0
|
O
|
B:LEU21
|
4.8
|
33.0
|
1.0
|
CE
|
B:MET1
|
4.8
|
54.2
|
1.0
|
CB
|
B:ASN22
|
4.8
|
34.3
|
1.0
|
CA
|
B:GLU24
|
4.9
|
34.6
|
1.0
|
|
Potassium binding site 4 out
of 8 in 4le2
Go back to
Potassium Binding Sites List in 4le2
Potassium binding site 4 out
of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K203
b:64.0
occ:1.00
|
OG1
|
B:THR81
|
2.8
|
66.6
|
1.0
|
OD1
|
B:ASP54
|
3.3
|
63.3
|
1.0
|
CB
|
B:THR81
|
3.3
|
68.6
|
1.0
|
N
|
B:THR81
|
3.4
|
54.9
|
1.0
|
O
|
B:HOH333
|
3.8
|
54.5
|
1.0
|
NZ
|
B:LYS102
|
3.8
|
58.7
|
1.0
|
OD2
|
B:ASP54
|
3.9
|
64.6
|
1.0
|
CA
|
B:THR81
|
4.0
|
57.6
|
1.0
|
CG
|
B:ASP54
|
4.0
|
58.7
|
1.0
|
C
|
B:THR80
|
4.4
|
52.1
|
1.0
|
CE
|
B:LYS102
|
4.4
|
46.4
|
1.0
|
CA
|
B:THR80
|
4.5
|
45.5
|
1.0
|
CB
|
B:GLU56
|
4.6
|
54.6
|
1.0
|
CG2
|
B:THR81
|
4.6
|
70.9
|
1.0
|
OG1
|
B:THR80
|
4.8
|
62.5
|
1.0
|
CD
|
B:LYS102
|
4.9
|
40.9
|
1.0
|
CG2
|
B:ILE55
|
4.9
|
49.8
|
1.0
|
|
Potassium binding site 5 out
of 8 in 4le2
Go back to
Potassium Binding Sites List in 4le2
Potassium binding site 5 out
of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 5 of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K202
b:50.1
occ:1.00
|
O
|
C:MET27
|
2.6
|
33.4
|
1.0
|
O
|
C:GLU24
|
2.7
|
48.5
|
1.0
|
O
|
C:ASN22
|
2.9
|
55.2
|
1.0
|
O
|
C:HOH329
|
3.1
|
39.0
|
1.0
|
O
|
C:HOH331
|
3.3
|
42.2
|
1.0
|
C
|
C:MET27
|
3.8
|
32.1
|
1.0
|
C
|
C:GLU24
|
3.8
|
49.0
|
1.0
|
C
|
C:ASN22
|
3.9
|
53.3
|
1.0
|
SD
|
C:MET1
|
3.9
|
54.6
|
1.0
|
O
|
C:ASP25
|
4.3
|
46.4
|
1.0
|
C
|
C:ASP25
|
4.4
|
45.6
|
1.0
|
CA
|
C:ASP25
|
4.4
|
46.4
|
1.0
|
CA
|
C:ASN22
|
4.4
|
47.5
|
1.0
|
N
|
C:MET27
|
4.5
|
31.0
|
1.0
|
N
|
C:ASP25
|
4.6
|
45.4
|
1.0
|
N
|
C:GLU24
|
4.7
|
47.7
|
1.0
|
CA
|
C:GLU28
|
4.7
|
28.8
|
1.0
|
N
|
C:GLU28
|
4.7
|
28.0
|
1.0
|
CA
|
C:MET27
|
4.7
|
28.9
|
1.0
|
OD1
|
C:ASN22
|
4.8
|
62.4
|
1.0
|
C
|
C:LEU23
|
4.9
|
55.5
|
1.0
|
CA
|
C:GLU24
|
4.9
|
45.6
|
1.0
|
N
|
C:LEU23
|
5.0
|
50.3
|
1.0
|
O
|
C:LEU21
|
5.0
|
43.6
|
1.0
|
CB
|
C:GLU28
|
5.0
|
31.9
|
1.0
|
|
Potassium binding site 6 out
of 8 in 4le2
Go back to
Potassium Binding Sites List in 4le2
Potassium binding site 6 out
of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 6 of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K203
b:58.3
occ:1.00
|
OD1
|
C:ASP49
|
3.0
|
30.4
|
1.0
|
NZ
|
A:LYS45
|
3.3
|
31.8
|
1.0
|
OD2
|
C:ASP49
|
3.5
|
35.1
|
1.0
|
CG
|
C:ASP49
|
3.5
|
28.4
|
1.0
|
O
|
C:HOH322
|
3.7
|
46.8
|
1.0
|
OG
|
C:SER3
|
3.8
|
29.0
|
1.0
|
CD2
|
A:PHE42
|
4.0
|
21.4
|
1.0
|
CE2
|
A:PHE42
|
4.0
|
25.2
|
1.0
|
CE
|
A:LYS45
|
4.2
|
28.8
|
1.0
|
NH2
|
A:ARG46
|
4.5
|
28.6
|
1.0
|
O
|
C:GLN47
|
4.5
|
34.3
|
1.0
|
CB
|
C:SER3
|
4.7
|
27.8
|
1.0
|
N
|
C:ASP49
|
4.8
|
25.7
|
1.0
|
CA
|
C:SER-2
|
4.8
|
45.9
|
1.0
|
CB
|
C:ASP49
|
4.8
|
25.6
|
1.0
|
N
|
C:SER-2
|
4.9
|
43.7
|
1.0
|
|
Potassium binding site 7 out
of 8 in 4le2
Go back to
Potassium Binding Sites List in 4le2
Potassium binding site 7 out
of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 7 of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K204
b:64.5
occ:1.00
|
OE2
|
C:GLU56
|
3.0
|
52.4
|
1.0
|
OG1
|
C:THR81
|
3.0
|
26.5
|
1.0
|
O
|
C:HOH306
|
3.2
|
49.9
|
1.0
|
CG
|
C:GLU56
|
3.2
|
46.4
|
1.0
|
OD1
|
C:ASP54
|
3.3
|
39.4
|
1.0
|
CD
|
C:GLU56
|
3.4
|
62.7
|
1.0
|
NH1
|
C:ARG84
|
3.5
|
16.9
|
1.0
|
N
|
C:THR81
|
3.6
|
21.7
|
1.0
|
CB
|
C:THR81
|
3.6
|
23.0
|
1.0
|
NZ
|
C:LYS102
|
3.7
|
38.0
|
1.0
|
O
|
C:HOH304
|
3.8
|
56.9
|
1.0
|
OD2
|
C:ASP54
|
3.8
|
44.4
|
1.0
|
CG
|
C:ASP54
|
4.0
|
38.5
|
1.0
|
NH2
|
C:ARG84
|
4.1
|
23.5
|
1.0
|
CA
|
C:THR81
|
4.2
|
21.6
|
1.0
|
CZ
|
C:ARG84
|
4.3
|
32.8
|
1.0
|
CE
|
C:LYS102
|
4.4
|
26.1
|
1.0
|
CG2
|
C:ILE55
|
4.4
|
30.6
|
1.0
|
O
|
C:HOH308
|
4.4
|
57.7
|
1.0
|
OE1
|
C:GLU56
|
4.5
|
62.1
|
1.0
|
CA
|
C:THR80
|
4.5
|
20.0
|
1.0
|
C
|
C:THR80
|
4.5
|
24.6
|
1.0
|
CB
|
C:GLU56
|
4.7
|
37.6
|
1.0
|
OG1
|
C:THR80
|
4.8
|
18.1
|
1.0
|
CD
|
C:LYS102
|
5.0
|
24.1
|
1.0
|
CG2
|
C:THR81
|
5.0
|
17.3
|
1.0
|
|
Potassium binding site 8 out
of 8 in 4le2
Go back to
Potassium Binding Sites List in 4le2
Potassium binding site 8 out
of 8 in the Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 8 of Crystal Structure of the Unphosphorylated Receiver Domain of Desr in the Active State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K201
b:46.6
occ:1.00
|
O
|
D:GLU24
|
2.5
|
38.8
|
1.0
|
O
|
D:ASN22
|
2.6
|
39.4
|
1.0
|
O
|
D:MET27
|
2.6
|
35.2
|
1.0
|
C
|
D:ASN22
|
3.6
|
38.3
|
1.0
|
C
|
D:GLU24
|
3.7
|
39.5
|
1.0
|
C
|
D:MET27
|
3.8
|
34.1
|
1.0
|
CA
|
D:ASN22
|
4.1
|
32.9
|
1.0
|
N
|
D:GLU24
|
4.4
|
35.3
|
1.0
|
N
|
D:MET27
|
4.4
|
31.1
|
1.0
|
CA
|
D:ASP25
|
4.5
|
40.5
|
1.0
|
O
|
D:ASP25
|
4.5
|
44.7
|
1.0
|
N
|
D:ASP25
|
4.5
|
38.3
|
1.0
|
C
|
D:ASP25
|
4.5
|
43.1
|
1.0
|
OD1
|
D:ASN22
|
4.6
|
35.8
|
1.0
|
C
|
D:LEU23
|
4.6
|
40.8
|
1.0
|
CA
|
D:MET27
|
4.6
|
29.8
|
1.0
|
N
|
D:LEU23
|
4.6
|
35.6
|
1.0
|
CA
|
D:GLU24
|
4.7
|
34.6
|
1.0
|
O
|
D:LEU21
|
4.7
|
35.9
|
1.0
|
N
|
D:GLU28
|
4.8
|
28.9
|
1.0
|
CE
|
D:MET1
|
4.8
|
51.7
|
1.0
|
CB
|
D:ASN22
|
4.8
|
33.6
|
1.0
|
CA
|
D:GLU28
|
4.9
|
28.8
|
1.0
|
SD
|
D:MET1
|
4.9
|
54.8
|
1.0
|
CA
|
D:LEU23
|
5.0
|
36.6
|
1.0
|
|
Reference:
F.Trajtenberg,
A.Albanesi,
N.Ruetalo,
H.Botti,
A.Mechaly,
L.Cybulski,
N.Larrieux,
D.De Mendoza,
A.Buschiazzo.
A Non-Canonical Protein Surface Is Key in Allosteric Control of Response Regulators To Be Published.
Page generated: Mon Aug 12 11:21:19 2024
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