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Fluorine in PDB 4qj4: Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq

Enzymatic activity of Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq

All present enzymatic activity of Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq:
3.1.4.11;

Protein crystallography data

The structure of Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq, PDB code: 4qj4 was solved by A.M.Lyon, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.40 / 3.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 201.923, 89.191, 92.639, 90.00, 101.70, 90.00
R / Rfree (%) 20.8 / 26.7

Other elements in 4qj4:

The structure of Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Aluminium (Al) 1 atom
Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq (pdb code 4qj4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq, PDB code: 4qj4:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4qj4

Go back to Fluorine Binding Sites List in 4qj4
Fluorine binding site 1 out of 4 in the Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:45.6
occ:1.00
 F1 A:ALF401 0.0 45.6 1.0
AL A:ALF401 1.8 45.3 1.0
O3B A:GDP400 2.3 43.1 1.0
O A:HOH501 2.4 13.9 1.0
NH1 A:ARG183 2.5 51.5 1.0
F4 A:ALF401 2.5 44.4 1.0
F3 A:ALF401 2.5 46.4 1.0
MG A:MG402 2.9 46.1 1.0
NH2 A:ARG183 2.9 52.0 1.0
CZ A:ARG183 3.0 51.6 1.0
N A:THR186 3.1 51.5 1.0
CA A:PRO185 3.3 50.8 1.0
F2 A:ALF401 3.6 46.0 1.0
PB A:GDP400 3.6 42.2 1.0
C A:PRO185 3.7 51.9 1.0
OG1 A:THR186 3.8 50.5 1.0
O2B A:GDP400 4.0 43.7 1.0
CB A:THR186 4.1 52.0 1.0
CB A:PRO185 4.1 51.0 1.0
O2A A:GDP400 4.2 40.5 1.0
CA A:THR186 4.2 52.4 1.0
NE A:ARG183 4.3 51.4 1.0
O A:VAL184 4.3 52.4 1.0
N A:PRO185 4.3 51.3 1.0
O A:HOH503 4.4 25.4 1.0
O3A A:GDP400 4.4 41.1 1.0
NE2 A:GLN209 4.6 45.3 1.0
N A:GLU49 4.6 47.9 1.0
O A:THR186 4.6 52.9 1.0
C A:VAL184 4.6 52.2 1.0
OE1 A:GLN209 4.7 46.3 1.0
O1B A:GDP400 4.7 42.0 1.0
OG A:SER53 4.9 47.0 1.0
C A:THR186 4.9 53.3 1.0
O A:PRO185 4.9 53.5 1.0
CG A:PRO185 4.9 50.7 1.0
PA A:GDP400 5.0 40.2 1.0

Fluorine binding site 2 out of 4 in 4qj4

Go back to Fluorine Binding Sites List in 4qj4
Fluorine binding site 2 out of 4 in the Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:46.0
occ:1.00
 F2 A:ALF401 0.0 46.0 1.0
AL A:ALF401 1.8 45.3 1.0
F3 A:ALF401 2.5 46.4 1.0
F4 A:ALF401 2.6 44.4 1.0
N A:GLY208 2.7 47.5 1.0
O A:HOH501 2.7 13.9 1.0
O3B A:GDP400 2.8 43.1 1.0
NZ A:LYS52 2.9 50.0 1.0
CA A:GLY208 3.1 47.0 1.0
CA A:GLY48 3.3 48.3 1.0
CE A:LYS52 3.3 50.2 1.0
O1B A:GDP400 3.4 42.0 1.0
PB A:GDP400 3.6 42.2 1.0
F1 A:ALF401 3.6 45.6 1.0
N A:GLU49 3.6 47.9 1.0
C A:GLY207 3.8 48.6 1.0
C A:GLY48 3.9 47.6 1.0
O A:THR47 4.0 47.6 1.0
N A:GLY48 4.1 48.4 1.0
OE1 A:GLN209 4.1 46.3 1.0
CA A:GLY207 4.2 49.1 1.0
C A:GLY208 4.2 47.3 1.0
O A:VAL206 4.2 48.5 1.0
O A:HOH503 4.2 25.4 1.0
MG A:MG402 4.3 46.1 1.0
NE2 A:GLN209 4.3 45.3 1.0
C A:THR47 4.3 47.9 1.0
N A:GLN209 4.4 48.0 1.0
O2B A:GDP400 4.4 43.7 1.0
CD A:GLN209 4.5 46.3 1.0
CD A:LYS52 4.8 50.0 1.0
O A:GLY207 4.8 49.1 1.0
CA A:GLU49 4.8 48.6 1.0
O A:GLY46 4.9 47.8 1.0
O3A A:GDP400 5.0 41.1 1.0

Fluorine binding site 3 out of 4 in 4qj4

Go back to Fluorine Binding Sites List in 4qj4
Fluorine binding site 3 out of 4 in the Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:46.4
occ:1.00
 F3 A:ALF401 0.0 46.4 1.0
AL A:ALF401 1.8 45.3 1.0
MG A:MG402 1.9 46.1 1.0
O A:HOH503 2.2 25.4 1.0
F2 A:ALF401 2.5 46.0 1.0
F1 A:ALF401 2.5 45.6 1.0
O3B A:GDP400 2.5 43.1 1.0
O A:HOH501 2.6 13.9 1.0
O2B A:GDP400 3.1 43.7 1.0
OG1 A:THR186 3.1 50.5 1.0
CB A:THR186 3.1 52.0 1.0
PB A:GDP400 3.2 42.2 1.0
O A:VAL206 3.5 48.5 1.0
F4 A:ALF401 3.6 44.4 1.0
N A:THR186 3.8 51.5 1.0
O1B A:GDP400 3.9 42.0 1.0
CE A:LYS52 3.9 50.2 1.0
OG A:SER53 3.9 47.0 1.0
CA A:THR186 4.0 52.4 1.0
CA A:GLY207 4.1 49.1 1.0
N A:GLY208 4.2 47.5 1.0
CG2 A:THR186 4.3 53.4 1.0
NZ A:LYS52 4.3 50.0 1.0
O A:THR186 4.4 52.9 1.0
C A:VAL206 4.5 49.0 1.0
C A:GLY207 4.6 48.6 1.0
O3A A:GDP400 4.6 41.1 1.0
NH1 A:ARG183 4.6 51.5 1.0
C A:THR186 4.6 53.3 1.0
OD1 A:ASP205 4.6 49.5 1.0
N A:GLY207 4.7 49.5 1.0
CB A:LYS52 4.9 47.9 1.0
C A:PRO185 5.0 51.9 1.0

Fluorine binding site 4 out of 4 in 4qj4

Go back to Fluorine Binding Sites List in 4qj4
Fluorine binding site 4 out of 4 in the Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of A Fragment of Human Phospholipase C-BETA3 DELTA472-569, Bound to IP3 and in Complex with Galphaq within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:44.4
occ:1.00
 F4 A:ALF401 0.0 44.4 1.0
AL A:ALF401 1.8 45.3 1.0
F1 A:ALF401 2.5 45.6 1.0
O A:HOH501 2.6 13.9 1.0
F2 A:ALF401 2.6 46.0 1.0
O3B A:GDP400 2.6 43.1 1.0
NE2 A:GLN209 2.6 45.3 1.0
N A:GLU49 2.7 47.9 1.0
NH2 A:ARG183 3.0 52.0 1.0
CA A:GLY48 3.1 48.3 1.0
C A:GLY48 3.3 47.6 1.0
CD A:GLN209 3.4 46.3 1.0
OE1 A:GLN209 3.5 46.3 1.0
F3 A:ALF401 3.6 46.4 1.0
NH1 A:ARG183 3.6 51.5 1.0
CG A:GLU49 3.7 52.6 1.0
CA A:GLU49 3.7 48.6 1.0
CZ A:ARG183 3.7 51.6 1.0
PB A:GDP400 4.0 42.2 1.0
CB A:GLU49 4.3 50.3 1.0
O1B A:GDP400 4.5 42.0 1.0
O A:GLY48 4.5 47.8 1.0
N A:GLY48 4.5 48.4 1.0
N A:GLY208 4.6 47.5 1.0
O3A A:GDP400 4.7 41.1 1.0
MG A:MG402 4.8 46.1 1.0
CG A:GLN209 4.8 47.5 1.0
CA A:GLY208 4.9 47.0 1.0
CD A:GLU49 5.0 54.9 1.0

Reference:

A.M.Lyon, J.A.Begley, T.Manett, J.J.G.Tesmer. Molecular Mechanisms of Plcbeta Regulation. Structure 2014.
ISSN: ISSN 0969-2126
Page generated: Thu Aug 1 05:13:35 2024

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