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Fluorine in PDB 4ekd: Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C)

Enzymatic activity of Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C)

All present enzymatic activity of Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C):
3.6.5.1;

Protein crystallography data

The structure of Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C), PDB code: 4ekd was solved by J.J.G.Tesmer, M.R.Nance, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.98 / 2.71
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 60.248, 60.248, 345.569, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 25.2

Other elements in 4ekd:

The structure of Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C) also contains other interesting chemical elements:

Cobalt (Co) 2 atoms
Magnesium (Mg) 1 atom
Aluminium (Al) 1 atom
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C) (pdb code 4ekd). 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 Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C), PDB code: 4ekd:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4ekd

Go back to Fluorine Binding Sites List in 4ekd
Fluorine binding site 1 out of 4 in the Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:64.5
occ:1.00
 F1 A:ALF402 0.0 64.5 1.0
AL A:ALF402 1.8 62.0 1.0
O3B A:GDP401 2.2 63.0 1.0
F3 A:ALF402 2.5 62.5 1.0
F4 A:ALF402 2.6 63.2 1.0
O A:HOH501 3.1 63.8 1.0
O A:HOH502 3.2 64.7 1.0
CA A:PRO185 3.3 86.6 1.0
MG A:MG407 3.5 60.9 1.0
PB A:GDP401 3.6 63.5 1.0
N A:THR186 3.6 81.7 1.0
F2 A:ALF402 3.6 63.0 1.0
O2A A:GDP401 3.6 66.6 1.0
C A:PRO185 3.9 85.8 1.0
CG A:GLU49 4.0 97.4 1.0
N A:PRO185 4.1 86.5 1.0
CB A:PRO185 4.1 87.1 1.0
O A:VAL184 4.1 84.8 1.0
O3A A:GDP401 4.2 64.8 1.0
O2B A:GDP401 4.2 63.7 1.0
N A:GLU49 4.3 84.3 1.0
C A:VAL184 4.4 86.5 1.0
CA A:GLU49 4.5 85.4 1.0
PA A:GDP401 4.6 67.0 1.0
O1B A:GDP401 4.6 62.6 1.0
OG1 A:THR186 4.7 77.9 1.0
O A:HOH503 4.7 63.3 1.0
NE2 A:GLN209 4.8 84.7 1.0
CA A:THR186 4.8 81.4 1.0
CG A:PRO185 4.8 86.7 1.0
CB A:GLU49 4.9 90.8 1.0
CB A:THR186 5.0 78.7 1.0
OE1 A:GLN209 5.0 81.5 1.0

Fluorine binding site 2 out of 4 in 4ekd

Go back to Fluorine Binding Sites List in 4ekd
Fluorine binding site 2 out of 4 in the Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:63.0
occ:1.00
 F2 A:ALF402 0.0 63.0 1.0
AL A:ALF402 1.8 62.0 1.0
F4 A:ALF402 2.5 63.2 1.0
F3 A:ALF402 2.6 62.5 1.0
N A:GLY208 2.6 81.9 1.0
O A:HOH501 2.7 63.8 1.0
NZ A:LYS52 3.0 71.1 1.0
O3B A:GDP401 3.0 63.0 1.0
CA A:GLY208 3.1 81.3 1.0
O1B A:GDP401 3.5 62.6 1.0
O A:HOH503 3.6 63.3 1.0
F1 A:ALF402 3.6 64.5 1.0
CA A:GLY48 3.7 80.7 1.0
N A:GLU49 3.7 84.3 1.0
CE A:LYS52 3.7 71.6 1.0
PB A:GDP401 3.7 63.5 1.0
OE1 A:GLN209 3.8 81.5 1.0
C A:GLY207 3.8 80.9 1.0
O A:THR47 4.0 78.6 1.0
O A:VAL206 4.0 77.9 1.0
MG A:MG407 4.1 60.9 1.0
CA A:GLY207 4.1 81.7 1.0
NE2 A:GLN209 4.2 84.7 1.0
C A:GLY48 4.2 82.6 1.0
C A:GLY208 4.2 82.2 1.0
CD A:GLN209 4.4 84.9 1.0
N A:GLN209 4.4 83.2 1.0
N A:GLY48 4.4 80.5 1.0
O2B A:GDP401 4.4 63.7 1.0
C A:THR47 4.5 79.5 1.0
O A:THR186 4.7 82.7 1.0
CA A:GLU49 4.8 85.4 1.0
O A:GLY207 4.8 78.9 1.0
C A:VAL206 4.9 81.0 1.0
CB A:THR186 5.0 78.7 1.0
O A:GLY46 5.0 78.0 1.0

Fluorine binding site 3 out of 4 in 4ekd

Go back to Fluorine Binding Sites List in 4ekd
Fluorine binding site 3 out of 4 in the Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:62.5
occ:1.00
 F3 A:ALF402 0.0 62.5 1.0
MG A:MG407 1.7 60.9 1.0
AL A:ALF402 1.8 62.0 1.0
O A:HOH503 2.3 63.3 1.0
O3B A:GDP401 2.4 63.0 1.0
F1 A:ALF402 2.5 64.5 1.0
F2 A:ALF402 2.6 63.0 1.0
O A:HOH502 2.7 64.7 1.0
O A:HOH501 2.8 63.8 1.0
OG1 A:THR186 2.9 77.9 1.0
CB A:THR186 3.0 78.7 1.0
O2B A:GDP401 3.0 63.7 1.0
N A:THR186 3.1 81.7 1.0
PB A:GDP401 3.1 63.5 1.0
CA A:THR186 3.6 81.4 1.0
F4 A:ALF402 3.6 63.2 1.0
OG A:SER53 3.7 78.5 1.0
O1B A:GDP401 3.9 62.6 1.0
O A:THR186 4.1 82.7 1.0
C A:PRO185 4.1 85.8 1.0
O A:VAL206 4.2 77.9 1.0
C A:THR186 4.3 83.0 1.0
O2A A:GDP401 4.4 66.6 1.0
CA A:PRO185 4.4 86.6 1.0
CG2 A:THR186 4.4 78.1 1.0
NZ A:LYS52 4.4 71.1 1.0
O3A A:GDP401 4.4 64.8 1.0
O A:VAL184 4.7 84.8 1.0
N A:GLY208 4.7 81.9 1.0
CE A:LYS52 4.8 71.6 1.0
CB A:SER53 4.8 79.6 1.0
PA A:GDP401 4.9 67.0 1.0

Fluorine binding site 4 out of 4 in 4ekd

Go back to Fluorine Binding Sites List in 4ekd
Fluorine binding site 4 out of 4 in the Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Human Regulator of G Protein Signaling 2 (RGS2) in Complex with Murine Galpha-Q(R183C) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:63.2
occ:1.00
 F4 A:ALF402 0.0 63.2 1.0
AL A:ALF402 1.8 62.0 1.0
F2 A:ALF402 2.5 63.0 1.0
NE2 A:GLN209 2.6 84.7 1.0
F1 A:ALF402 2.6 64.5 1.0
N A:GLU49 2.7 84.3 1.0
O3B A:GDP401 2.9 63.0 1.0
O A:HOH501 2.9 63.8 1.0
CA A:GLY48 3.0 80.7 1.0
C A:GLY48 3.2 82.6 1.0
OE1 A:GLN209 3.4 81.5 1.0
CD A:GLN209 3.4 84.9 1.0
F3 A:ALF402 3.6 62.5 1.0
CG A:GLU49 3.6 97.4 1.0
CA A:GLU49 3.7 85.4 1.0
PB A:GDP401 4.2 63.5 1.0
CB A:GLU49 4.2 90.8 1.0
N A:GLY48 4.3 80.5 1.0
O A:GLY48 4.3 83.8 1.0
O1B A:GDP401 4.3 62.6 1.0
N A:GLY208 4.5 81.9 1.0
O A:HOH515 4.5 99.5 1.0
OE1 A:GLU49 4.6 0.7 1.0
CD A:GLU49 4.6 0.8 1.0
CA A:GLY208 4.6 81.3 1.0
O A:THR47 4.7 78.6 1.0
CG A:GLN209 4.8 84.9 1.0
NZ A:LYS52 4.9 71.1 1.0
N A:GLN209 4.9 83.2 1.0
C A:THR47 5.0 79.5 1.0
O3A A:GDP401 5.0 64.8 1.0

Reference:

M.R.Nance, B.Kreutz, V.M.Tesmer, R.Sterne-Marr, T.Kozasa, J.J.Tesmer. Structural and Functional Analysis of the Regulator of G Protein Signaling 2-G Alpha Q Complex. Structure V. 21 438 2013.
ISSN: ISSN 0969-2126
PubMed: 23434405
DOI: 10.1016/J.STR.2012.12.016
Page generated: Thu Aug 1 01:19:16 2024

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