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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:

Magnesium (Mg) 2 atoms
Aluminium (Al) 1 atom

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

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