Atomistry » Fluorine » PDB 1jdj-1mkd » 1l3r
Atomistry »
  Fluorine »
    PDB 1jdj-1mkd »
      1l3r »

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: Mon Jul 14 11:06:32 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy