Chlorine in PDB 7t4u: Crystal Structure of Cgmp-Dependent Protein Kinase
Enzymatic activity of Crystal Structure of Cgmp-Dependent Protein Kinase
All present enzymatic activity of Crystal Structure of Cgmp-Dependent Protein Kinase:
2.7.11.12;
Protein crystallography data
The structure of Crystal Structure of Cgmp-Dependent Protein Kinase, PDB code: 7t4u
was solved by
M.Zebisch,
L.Silvestre,
T.O.Fischmann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.36 /
1.99
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.463,
102.709,
103.843,
90,
90,
90
|
R / Rfree (%)
|
21.4 /
26
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Cgmp-Dependent Protein Kinase
(pdb code 7t4u). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of Cgmp-Dependent Protein Kinase, PDB code: 7t4u:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 7t4u
Go back to
Chlorine Binding Sites List in 7t4u
Chlorine binding site 1 out
of 4 in the Crystal Structure of Cgmp-Dependent Protein Kinase
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Cgmp-Dependent Protein Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl9901
b:76.2
occ:1.00
|
CL57
|
A:EX69901
|
0.0
|
76.2
|
1.0
|
C56
|
A:EX69901
|
1.7
|
75.1
|
1.0
|
C58
|
A:EX69901
|
2.7
|
74.0
|
1.0
|
C54
|
A:EX69901
|
2.7
|
74.5
|
1.0
|
CE2
|
A:PHE273
|
3.5
|
51.4
|
1.0
|
CD2
|
A:PHE273
|
3.6
|
49.2
|
1.0
|
CD2
|
A:LEU248
|
3.8
|
57.5
|
1.0
|
CG2
|
A:ILE331
|
3.9
|
48.5
|
1.0
|
C60
|
A:EX69901
|
4.0
|
74.8
|
1.0
|
C53
|
A:EX69901
|
4.0
|
74.9
|
1.0
|
CD1
|
A:ILE275
|
4.1
|
48.1
|
1.0
|
CZ
|
A:PHE237
|
4.3
|
79.7
|
1.0
|
CE1
|
A:PHE237
|
4.5
|
80.9
|
1.0
|
C62
|
A:EX69901
|
4.5
|
75.2
|
1.0
|
CD1
|
A:LEU248
|
4.6
|
55.7
|
1.0
|
CZ
|
A:PHE273
|
4.7
|
48.9
|
1.0
|
CD2
|
A:LEU252
|
4.8
|
49.5
|
1.0
|
CG
|
A:LEU248
|
4.8
|
57.0
|
1.0
|
CG
|
A:PHE273
|
4.9
|
47.5
|
1.0
|
CG1
|
A:ILE275
|
4.9
|
44.6
|
1.0
|
CD1
|
A:PHE336
|
5.0
|
50.2
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 7t4u
Go back to
Chlorine Binding Sites List in 7t4u
Chlorine binding site 2 out
of 4 in the Crystal Structure of Cgmp-Dependent Protein Kinase
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Cgmp-Dependent Protein Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl9901
b:75.0
occ:1.00
|
CL61
|
A:EX69901
|
0.0
|
75.0
|
1.0
|
C60
|
A:EX69901
|
1.7
|
74.8
|
1.0
|
C62
|
A:EX69901
|
2.7
|
75.2
|
1.0
|
C58
|
A:EX69901
|
2.7
|
74.0
|
1.0
|
CD1
|
A:LEU240
|
3.4
|
91.8
|
1.0
|
CE1
|
A:TYR351
|
3.9
|
84.4
|
1.0
|
C53
|
A:EX69901
|
4.0
|
74.9
|
1.0
|
C56
|
A:EX69901
|
4.0
|
75.1
|
1.0
|
C47
|
A:EX69901
|
4.2
|
77.9
|
1.0
|
CD1
|
A:TYR351
|
4.3
|
84.8
|
1.0
|
C49
|
A:EX69901
|
4.4
|
78.4
|
1.0
|
CG2
|
A:ILE244
|
4.4
|
69.1
|
1.0
|
CE1
|
A:PHE237
|
4.4
|
80.9
|
1.0
|
C54
|
A:EX69901
|
4.5
|
74.5
|
1.0
|
C45
|
A:EX69901
|
4.5
|
77.6
|
1.0
|
CD1
|
A:PHE237
|
4.5
|
80.7
|
1.0
|
CD1
|
A:LEU248
|
4.6
|
55.7
|
1.0
|
CG
|
A:LEU240
|
4.7
|
91.6
|
1.0
|
CD2
|
A:LEU240
|
4.8
|
94.4
|
1.0
|
C51
|
A:EX69901
|
4.8
|
78.4
|
1.0
|
C43
|
A:EX69901
|
4.9
|
78.6
|
1.0
|
CZ
|
A:TYR351
|
5.0
|
88.6
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 7t4u
Go back to
Chlorine Binding Sites List in 7t4u
Chlorine binding site 3 out
of 4 in the Crystal Structure of Cgmp-Dependent Protein Kinase
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Cgmp-Dependent Protein Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl9901
b:55.8
occ:1.00
|
CL57
|
B:EX69901
|
0.0
|
55.8
|
1.0
|
C56
|
B:EX69901
|
1.7
|
48.0
|
1.0
|
C54
|
B:EX69901
|
2.7
|
46.9
|
1.0
|
C58
|
B:EX69901
|
2.7
|
46.0
|
1.0
|
CE2
|
B:PHE273
|
3.5
|
45.2
|
1.0
|
CD2
|
B:PHE273
|
3.6
|
41.7
|
1.0
|
CD2
|
B:LEU248
|
3.7
|
38.7
|
1.0
|
CG2
|
B:ILE331
|
3.8
|
31.4
|
1.0
|
C60
|
B:EX69901
|
3.9
|
46.0
|
1.0
|
C53
|
B:EX69901
|
4.0
|
48.5
|
1.0
|
CD1
|
B:ILE275
|
4.0
|
41.5
|
1.0
|
CZ
|
B:PHE237
|
4.3
|
53.2
|
1.0
|
C62
|
B:EX69901
|
4.5
|
47.2
|
1.0
|
CZ
|
B:PHE273
|
4.7
|
42.7
|
1.0
|
CE1
|
B:PHE237
|
4.7
|
54.2
|
1.0
|
CD2
|
B:LEU252
|
4.7
|
36.2
|
1.0
|
CE1
|
B:PHE336
|
4.7
|
35.8
|
1.0
|
CD1
|
B:LEU248
|
4.8
|
36.4
|
1.0
|
CE2
|
B:PHE237
|
4.8
|
55.4
|
1.0
|
CD1
|
B:PHE336
|
4.8
|
34.8
|
1.0
|
CG
|
B:LEU248
|
4.8
|
37.1
|
1.0
|
CG1
|
B:ILE275
|
4.9
|
42.9
|
1.0
|
CG
|
B:PHE273
|
4.9
|
38.5
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 7t4u
Go back to
Chlorine Binding Sites List in 7t4u
Chlorine binding site 4 out
of 4 in the Crystal Structure of Cgmp-Dependent Protein Kinase
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Cgmp-Dependent Protein Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl9901
b:45.7
occ:1.00
|
CL61
|
B:EX69901
|
0.0
|
45.7
|
1.0
|
C60
|
B:EX69901
|
1.7
|
46.0
|
1.0
|
C58
|
B:EX69901
|
2.7
|
46.0
|
1.0
|
C62
|
B:EX69901
|
2.7
|
47.2
|
1.0
|
CD1
|
B:LEU240
|
3.4
|
53.8
|
1.0
|
CE1
|
B:TYR351
|
3.7
|
37.8
|
1.0
|
C56
|
B:EX69901
|
4.0
|
48.0
|
1.0
|
C53
|
B:EX69901
|
4.0
|
48.5
|
1.0
|
CD1
|
B:TYR351
|
4.1
|
39.0
|
1.0
|
CD1
|
B:PHE237
|
4.2
|
53.7
|
1.0
|
CE1
|
B:PHE237
|
4.2
|
54.2
|
1.0
|
C47
|
B:EX69901
|
4.2
|
28.9
|
1.0
|
CE1
|
B:PHE336
|
4.3
|
35.8
|
1.0
|
CD1
|
B:LEU248
|
4.4
|
36.4
|
1.0
|
C49
|
B:EX69901
|
4.4
|
29.2
|
1.0
|
CZ
|
B:PHE336
|
4.4
|
34.5
|
1.0
|
CG2
|
B:ILE244
|
4.4
|
45.2
|
1.0
|
C45
|
B:EX69901
|
4.5
|
29.6
|
1.0
|
C54
|
B:EX69901
|
4.5
|
46.9
|
1.0
|
CG
|
B:LEU240
|
4.7
|
54.0
|
1.0
|
CD2
|
B:LEU240
|
4.8
|
55.3
|
1.0
|
C51
|
B:EX69901
|
4.8
|
30.6
|
1.0
|
CZ
|
B:TYR351
|
4.8
|
45.2
|
1.0
|
C43
|
B:EX69901
|
4.9
|
32.1
|
1.0
|
|
Reference:
E.Metwally,
V.Mak,
H.L.Sylvestre,
P.Mcewan,
J.J.Baker,
Y.Rose,
A.Patel,
Y.-H.Lim,
D.Healy,
J.Hanisak,
G.Ermakov,
M.Beaumont,
A.C.Cheng,
T.Greshock,
T.O.Fischmann.
Selective Small Molecule of PKG1ALPHA: Structure and Function To Be Published.
Page generated: Wed Jul 26 15:02:19 2023
|