Fluorine in PDB 1l3r: Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase
Enzymatic activity of Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase
All present enzymatic activity of Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase:
2.7.1.37;
Protein crystallography data
The structure of Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase, PDB code: 1l3r
was solved by
Madhusudan,
P.Akamine,
N.-H.Xuong,
S.S.Taylor,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.00 /
2.00
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.680,
75.700,
80.550,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.5 /
23.2
|
Other elements in 1l3r:
The structure of Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase
(pdb code 1l3r). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the
Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase, PDB code: 1l3r:
Jump to Fluorine binding site number:
1;
2;
3;
Fluorine binding site 1 out
of 3 in 1l3r
Go back to
Fluorine Binding Sites List in 1l3r
Fluorine binding site 1 out
of 3 in the Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase
 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 A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F400
b:22.7
occ:1.00
|
F1
|
E:AF3400
|
0.0
|
22.7
|
1.0
|
AL
|
E:AF3400
|
1.8
|
25.0
|
1.0
|
MG
|
E:MG392
|
2.0
|
19.1
|
1.0
|
O3B
|
E:ADP381
|
2.8
|
19.0
|
1.0
|
OG
|
I:SER21
|
2.8
|
17.5
|
1.0
|
OD2
|
E:ASP184
|
2.9
|
17.4
|
1.0
|
NZ
|
E:LYS168
|
2.9
|
16.9
|
1.0
|
CE
|
E:LYS168
|
2.9
|
18.3
|
1.0
|
O
|
E:HOH578
|
2.9
|
21.8
|
1.0
|
OD1
|
E:ASN171
|
3.1
|
18.8
|
1.0
|
ND2
|
E:ASN171
|
3.1
|
20.0
|
1.0
|
F2
|
E:AF3400
|
3.2
|
24.1
|
1.0
|
F3
|
E:AF3400
|
3.2
|
30.0
|
1.0
|
OD1
|
E:ASP166
|
3.3
|
25.0
|
1.0
|
CG
|
E:ASN171
|
3.5
|
20.4
|
1.0
|
O2A
|
E:ADP381
|
3.8
|
22.4
|
1.0
|
O
|
I:HOH444
|
3.9
|
25.3
|
1.0
|
MG
|
E:MG391
|
4.0
|
27.1
|
1.0
|
CB
|
I:SER21
|
4.1
|
17.7
|
1.0
|
CG
|
E:ASP184
|
4.1
|
24.2
|
1.0
|
CG
|
E:ASP166
|
4.2
|
24.3
|
1.0
|
PB
|
E:ADP381
|
4.2
|
25.5
|
1.0
|
CD
|
E:LYS168
|
4.4
|
16.5
|
1.0
|
O2B
|
E:ADP381
|
4.5
|
21.0
|
1.0
|
O
|
E:HOH577
|
4.5
|
19.8
|
1.0
|
OD2
|
E:ASP166
|
4.5
|
21.6
|
1.0
|
N
|
I:SER21
|
4.6
|
21.6
|
1.0
|
CA
|
I:SER21
|
4.9
|
21.7
|
1.0
|
CB
|
E:ASP184
|
4.9
|
21.6
|
1.0
|
CB
|
E:ASN171
|
4.9
|
18.8
|
1.0
|
O3A
|
E:ADP381
|
5.0
|
22.2
|
1.0
|
OG1
|
E:THR201
|
5.0
|
20.4
|
1.0
|
O
|
I:ARG19
|
5.0
|
23.5
|
1.0
|
PA
|
E:ADP381
|
5.0
|
22.4
|
1.0
|
OD1
|
E:ASP184
|
5.0
|
21.4
|
1.0
|
|
Fluorine binding site 2 out
of 3 in 1l3r
Go back to
Fluorine Binding Sites List in 1l3r
Fluorine binding site 2 out
of 3 in the Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase
 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 A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F400
b:24.1
occ:1.00
|
F2
|
E:AF3400
|
0.0
|
24.1
|
1.0
|
AL
|
E:AF3400
|
1.8
|
25.0
|
1.0
|
MG
|
E:MG391
|
2.0
|
27.1
|
1.0
|
OG
|
I:SER21
|
2.8
|
17.5
|
1.0
|
O
|
E:HOH577
|
2.9
|
19.8
|
1.0
|
O3B
|
E:ADP381
|
2.9
|
19.0
|
1.0
|
O2B
|
E:ADP381
|
3.1
|
21.0
|
1.0
|
F1
|
E:AF3400
|
3.2
|
22.7
|
1.0
|
CB
|
I:SER21
|
3.2
|
17.7
|
1.0
|
F3
|
E:AF3400
|
3.2
|
30.0
|
1.0
|
OD2
|
E:ASP184
|
3.2
|
17.4
|
1.0
|
O
|
E:HOH576
|
3.2
|
17.9
|
1.0
|
CD2
|
E:PHE54
|
3.3
|
23.0
|
1.0
|
CE2
|
E:PHE54
|
3.3
|
22.3
|
1.0
|
OD1
|
E:ASP166
|
3.4
|
25.0
|
1.0
|
PB
|
E:ADP381
|
3.4
|
25.5
|
1.0
|
O1B
|
E:ADP381
|
3.8
|
23.1
|
1.0
|
MG
|
E:MG392
|
3.9
|
19.1
|
1.0
|
CG
|
E:ASP184
|
4.0
|
24.2
|
1.0
|
OD1
|
E:ASP184
|
4.1
|
21.4
|
1.0
|
CZ
|
E:PHE187
|
4.4
|
20.9
|
1.0
|
CE2
|
E:PHE187
|
4.5
|
19.6
|
1.0
|
CA
|
I:SER21
|
4.6
|
21.7
|
1.0
|
CG
|
E:ASP166
|
4.6
|
24.3
|
1.0
|
CG
|
E:PHE54
|
4.6
|
24.7
|
1.0
|
CZ
|
E:PHE54
|
4.6
|
21.7
|
1.0
|
O3A
|
E:ADP381
|
4.8
|
22.2
|
1.0
|
N
|
I:SER21
|
4.8
|
21.6
|
1.0
|
N
|
E:SER53
|
4.8
|
24.3
|
1.0
|
CE1
|
E:PHE187
|
4.9
|
21.5
|
1.0
|
|
Fluorine binding site 3 out
of 3 in 1l3r
Go back to
Fluorine Binding Sites List in 1l3r
Fluorine binding site 3 out
of 3 in the Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase
 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 A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F400
b:30.0
occ:1.00
|
F3
|
E:AF3400
|
0.0
|
30.0
|
1.0
|
AL
|
E:AF3400
|
1.8
|
25.0
|
1.0
|
N
|
E:SER53
|
2.7
|
24.3
|
1.0
|
N
|
I:SER21
|
2.8
|
21.6
|
1.0
|
OG
|
I:SER21
|
3.1
|
17.5
|
1.0
|
F2
|
E:AF3400
|
3.2
|
24.1
|
1.0
|
F1
|
E:AF3400
|
3.2
|
22.7
|
1.0
|
O3B
|
E:ADP381
|
3.2
|
19.0
|
1.0
|
CB
|
I:SER21
|
3.2
|
17.7
|
1.0
|
CA
|
E:GLY52
|
3.3
|
23.6
|
1.0
|
C
|
E:GLY52
|
3.4
|
25.4
|
1.0
|
OG
|
E:SER53
|
3.5
|
26.9
|
1.0
|
CA
|
I:SER21
|
3.6
|
21.7
|
1.0
|
CB
|
E:SER53
|
3.6
|
23.9
|
1.0
|
CA
|
E:SER53
|
3.7
|
24.3
|
1.0
|
C
|
I:ALA20
|
3.8
|
21.7
|
1.0
|
O1B
|
E:ADP381
|
3.8
|
23.1
|
1.0
|
CA
|
I:ALA20
|
3.8
|
22.5
|
1.0
|
O
|
I:HOH444
|
4.0
|
25.3
|
1.0
|
PB
|
E:ADP381
|
4.1
|
25.5
|
1.0
|
NZ
|
E:LYS168
|
4.1
|
16.9
|
1.0
|
MG
|
E:MG392
|
4.3
|
19.1
|
1.0
|
CB
|
I:ALA20
|
4.4
|
19.8
|
1.0
|
O
|
E:HOH578
|
4.4
|
21.8
|
1.0
|
O
|
I:SER21
|
4.5
|
22.1
|
1.0
|
O
|
E:HOH492
|
4.5
|
29.8
|
1.0
|
C
|
I:SER21
|
4.6
|
24.0
|
1.0
|
O
|
E:GLY52
|
4.6
|
24.7
|
1.0
|
N
|
E:PHE54
|
4.6
|
23.8
|
1.0
|
CD2
|
E:PHE54
|
4.7
|
23.0
|
1.0
|
C
|
E:SER53
|
4.7
|
24.7
|
1.0
|
CE2
|
E:PHE54
|
4.7
|
22.3
|
1.0
|
N
|
E:GLY52
|
4.8
|
23.8
|
1.0
|
O
|
I:ARG19
|
4.8
|
23.5
|
1.0
|
O2B
|
E:ADP381
|
4.8
|
21.0
|
1.0
|
MG
|
E:MG391
|
4.9
|
27.1
|
1.0
|
O
|
I:ALA20
|
4.9
|
21.1
|
1.0
|
|
Reference:
Madhusudan,
P.Akamine,
N.H.Xuong,
S.S.Taylor.
Crystal Structure of A Transition State Mimic of the Catalytic Subunit of Camp-Dependent Protein Kinase. Nat.Struct.Biol. V. 9 273 2002.
ISSN: ISSN 1072-8368
PubMed: 11896404
DOI: 10.1038/NSB780
Page generated: Wed Jul 31 11:46:33 2024
|