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Fluorine in PDB 4ekc: 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: 4ekc 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) 19.98 / 7.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 139.603, 124.983, 97.196, 90.00, 124.13, 90.00
R / Rfree (%) 15.8 / 22

Other elements in 4ekc:

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:

Magnesium (Mg) 2 atoms
Aluminium (Al) 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 4ekc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 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: 4ekc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 4ekc

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Fluorine binding site 1 out of 8 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:F401

b:44.6
occ:1.00
 F1 A:ALF401 0.0 44.6 1.0
AL A:ALF401 1.8 43.5 1.0
O3B A:GDP400 2.2 61.4 1.0
O A:HOH501 2.5 43.7 1.0
F3 A:ALF401 2.5 45.4 1.0
F4 A:ALF401 2.6 44.3 1.0
O A:HOH502 3.0 75.2 1.0
PB A:GDP400 3.4 62.7 1.0
MG A:MG402 3.5 69.1 1.0
CA A:PRO185 3.6 0.7 1.0
O2B A:GDP400 3.6 63.4 1.0
F2 A:ALF401 3.6 46.6 1.0
N A:THR186 3.8 0.3 1.0
O2A A:GDP400 3.9 74.6 1.0
CG A:GLU49 4.0 72.3 1.0
CB A:PRO185 4.1 0.0 1.0
C A:PRO185 4.2 0.3 1.0
O1B A:GDP400 4.4 62.3 1.0
O3A A:GDP400 4.5 68.5 1.0
NE2 A:GLN209 4.6 0.1 1.0
N A:PRO185 4.6 0.4 1.0
CD A:GLU49 4.7 74.8 1.0
OE1 A:GLN209 4.7 0.5 1.0
N A:GLU49 4.7 67.1 1.0
CG A:PRO185 4.8 0.2 1.0
O A:HOH503 4.9 0.5 1.0
O A:VAL184 4.9 0.8 1.0
OG1 A:THR186 4.9 0.8 1.0
PA A:GDP400 4.9 74.8 1.0
CA A:GLU49 5.0 68.1 1.0
CA A:THR186 5.0 0.8 1.0

Fluorine binding site 2 out of 8 in 4ekc

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Fluorine binding site 2 out of 8 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:F401

b:46.6
occ:1.00
 F2 A:ALF401 0.0 46.6 1.0
AL A:ALF401 1.8 43.5 1.0
NZ A:LYS52 2.3 74.2 1.0
F4 A:ALF401 2.5 44.3 1.0
F3 A:ALF401 2.5 45.4 1.0
O A:HOH501 2.6 43.7 1.0
N A:GLY208 2.7 0.7 1.0
O1B A:GDP400 2.9 62.3 1.0
CA A:GLY208 3.1 0.2 1.0
CE A:LYS52 3.1 75.3 1.0
PB A:GDP400 3.2 62.7 1.0
O3B A:GDP400 3.4 61.4 1.0
O2B A:GDP400 3.4 63.4 1.0
F1 A:ALF401 3.6 44.6 1.0
C A:GLY207 3.7 0.7 1.0
O A:VAL206 3.8 0.8 1.0
O A:HOH503 3.9 0.5 1.0
MG A:MG402 4.0 69.1 1.0
N A:GLU49 4.1 67.1 1.0
CA A:GLY207 4.1 0.1 1.0
OE1 A:GLN209 4.1 0.5 1.0
C A:GLY208 4.2 0.6 1.0
CD A:LYS52 4.5 75.2 1.0
NE2 A:GLN209 4.6 0.1 1.0
CA A:GLY48 4.6 67.7 1.0
CD A:GLN209 4.7 0.2 1.0
C A:VAL206 4.7 0.3 1.0
O A:GLY46 4.7 71.7 1.0
O A:GLY208 4.8 0.9 1.0
O A:GLY207 4.8 0.9 1.0
O A:THR47 4.8 65.7 1.0
O3A A:GDP400 4.8 68.5 1.0
C A:GLY48 4.9 67.2 1.0
N A:GLN209 4.9 0.5 1.0
N A:GLY207 4.9 0.5 1.0
CA A:GLU49 4.9 68.1 1.0
CG A:LYS52 4.9 75.0 1.0
O A:HOH502 5.0 75.2 1.0

Fluorine binding site 3 out of 8 in 4ekc

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Fluorine binding site 3 out of 8 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:F401

b:45.4
occ:1.00
 F3 A:ALF401 0.0 45.4 1.0
AL A:ALF401 1.8 43.5 1.0
MG A:MG402 1.8 69.1 1.0
O A:HOH501 2.3 43.7 1.0
O A:HOH503 2.4 0.5 1.0
O2B A:GDP400 2.5 63.4 1.0
F1 A:ALF401 2.5 44.6 1.0
F2 A:ALF401 2.5 46.6 1.0
O A:HOH502 2.6 75.2 1.0
O3B A:GDP400 3.2 61.4 1.0
OG1 A:THR186 3.2 0.8 1.0
PB A:GDP400 3.2 62.7 1.0
CB A:THR186 3.3 0.6 1.0
N A:THR186 3.4 0.3 1.0
F4 A:ALF401 3.6 44.3 1.0
O A:VAL206 3.8 0.8 1.0
CA A:THR186 3.9 0.8 1.0
O A:THR186 4.0 0.9 1.0
O1B A:GDP400 4.0 62.3 1.0
OG A:SER53 4.2 76.1 1.0
NZ A:LYS52 4.2 74.2 1.0
N A:GLY208 4.4 0.7 1.0
O2A A:GDP400 4.4 74.6 1.0
CE A:LYS52 4.4 75.3 1.0
C A:THR186 4.4 0.5 1.0
C A:PRO185 4.4 0.3 1.0
CA A:GLY207 4.5 0.1 1.0
CA A:PRO185 4.6 0.7 1.0
O3A A:GDP400 4.6 68.5 1.0
CG2 A:THR186 4.7 0.8 1.0
C A:VAL206 4.8 0.3 1.0
C A:GLY207 5.0 0.7 1.0

Fluorine binding site 4 out of 8 in 4ekc

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Fluorine binding site 4 out of 8 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:F401

b:44.3
occ:1.00
 F4 A:ALF401 0.0 44.3 1.0
AL A:ALF401 1.8 43.5 1.0
O3B A:GDP400 2.5 61.4 1.0
F2 A:ALF401 2.5 46.6 1.0
F1 A:ALF401 2.6 44.6 1.0
N A:GLU49 2.6 67.1 1.0
O A:HOH501 2.7 43.7 1.0
NE2 A:GLN209 2.8 0.1 1.0
PB A:GDP400 3.4 62.7 1.0
CA A:GLY48 3.4 67.7 1.0
C A:GLY48 3.4 67.2 1.0
O1B A:GDP400 3.4 62.3 1.0
CG A:GLU49 3.5 72.3 1.0
CA A:GLU49 3.5 68.1 1.0
F3 A:ALF401 3.6 45.4 1.0
OE1 A:GLN209 3.6 0.5 1.0
CD A:GLN209 3.6 0.2 1.0
CB A:GLU49 4.0 70.5 1.0
CD A:GLU49 4.2 74.8 1.0
O2B A:GDP400 4.2 63.4 1.0
OE1 A:GLU49 4.2 76.6 1.0
N A:GLY208 4.3 0.7 1.0
NZ A:LYS52 4.3 74.2 1.0
CA A:GLY208 4.3 0.2 1.0
N A:GLY48 4.5 67.1 1.0
O A:GLY48 4.6 67.4 1.0
C A:GLY208 4.6 0.6 1.0
O3A A:GDP400 4.7 68.5 1.0
O A:THR47 4.7 65.7 1.0
O A:GLY208 4.9 0.9 1.0
C A:GLU49 4.9 67.0 1.0
MG A:MG402 5.0 69.1 1.0

Fluorine binding site 5 out of 8 in 4ekc

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Fluorine binding site 5 out of 8 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 5 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
C:F401

b:61.5
occ:1.00
 F1 C:ALF401 0.0 61.5 1.0
AL C:ALF401 1.8 60.2 1.0
O3B C:GDP400 2.2 60.4 1.0
O C:HOH501 2.5 65.9 1.0
F3 C:ALF401 2.5 60.5 1.0
F4 C:ALF401 2.6 61.0 1.0
O C:HOH502 3.0 80.2 1.0
PB C:GDP400 3.4 59.4 1.0
MG C:MG402 3.5 64.5 1.0
CA C:PRO185 3.6 0.0 1.0
F2 C:ALF401 3.6 61.9 1.0
O2B C:GDP400 3.6 59.7 1.0
N C:THR186 3.8 0.6 1.0
O2A C:GDP400 3.9 63.0 1.0
CG C:GLU49 4.0 92.6 1.0
CB C:PRO185 4.1 0.2 1.0
C C:PRO185 4.3 0.3 1.0
O1B C:GDP400 4.4 59.8 1.0
O3A C:GDP400 4.5 61.1 1.0
N C:PRO185 4.6 0.6 1.0
NE2 C:GLN209 4.6 0.6 1.0
CD C:GLU49 4.7 95.6 1.0
N C:GLU49 4.7 87.1 1.0
OE1 C:GLN209 4.7 0.6 1.0
OG1 C:THR186 4.8 0.4 1.0
CG C:PRO185 4.8 0.4 1.0
O C:VAL184 4.9 0.8 1.0
O C:HOH503 4.9 75.5 1.0
PA C:GDP400 4.9 62.6 1.0
CA C:GLU49 5.0 87.0 1.0
CA C:THR186 5.0 0.7 1.0

Fluorine binding site 6 out of 8 in 4ekc

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Fluorine binding site 6 out of 8 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 6 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
C:F401

b:61.9
occ:1.00
 F2 C:ALF401 0.0 61.9 1.0
AL C:ALF401 1.8 60.2 1.0
NZ C:LYS52 2.3 77.5 1.0
F4 C:ALF401 2.5 61.0 1.0
F3 C:ALF401 2.5 60.5 1.0
O C:HOH501 2.6 65.9 1.0
N C:GLY208 2.7 0.7 1.0
O1B C:GDP400 3.0 59.8 1.0
CE C:LYS52 3.1 77.9 1.0
CA C:GLY208 3.1 0.1 1.0
PB C:GDP400 3.3 59.4 1.0
O3B C:GDP400 3.4 60.4 1.0
O2B C:GDP400 3.4 59.7 1.0
F1 C:ALF401 3.6 61.5 1.0
C C:GLY207 3.7 0.8 1.0
O C:VAL206 3.8 96.8 1.0
O C:HOH503 3.8 75.5 1.0
MG C:MG402 4.0 64.5 1.0
CA C:GLY207 4.1 0.8 1.0
N C:GLU49 4.1 87.1 1.0
OE1 C:GLN209 4.2 0.6 1.0
C C:GLY208 4.2 0.7 1.0
CD C:LYS52 4.5 78.2 1.0
CA C:GLY48 4.6 89.8 1.0
NE2 C:GLN209 4.6 0.6 1.0
C C:VAL206 4.7 98.8 1.0
O C:GLY46 4.7 0.4 1.0
O C:GLY207 4.8 0.5 1.0
O C:GLY208 4.8 0.0 1.0
CD C:GLN209 4.8 0.5 1.0
O C:THR47 4.8 96.9 1.0
O3A C:GDP400 4.9 61.1 1.0
N C:GLN209 4.9 0.2 1.0
C C:GLY48 4.9 88.4 1.0
N C:GLY207 4.9 0.3 1.0
CG C:LYS52 4.9 78.5 1.0
CA C:GLU49 4.9 87.0 1.0
O C:HOH502 5.0 80.2 1.0

Fluorine binding site 7 out of 8 in 4ekc

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Fluorine binding site 7 out of 8 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 7 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
C:F401

b:60.5
occ:1.00
 F3 C:ALF401 0.0 60.5 1.0
AL C:ALF401 1.8 60.2 1.0
MG C:MG402 1.8 64.5 1.0
O C:HOH501 2.4 65.9 1.0
O C:HOH503 2.5 75.5 1.0
O2B C:GDP400 2.5 59.7 1.0
F1 C:ALF401 2.5 61.5 1.0
F2 C:ALF401 2.5 61.9 1.0
O C:HOH502 2.6 80.2 1.0
O3B C:GDP400 3.2 60.4 1.0
OG1 C:THR186 3.2 0.4 1.0
PB C:GDP400 3.2 59.4 1.0
CB C:THR186 3.3 0.4 1.0
N C:THR186 3.4 0.6 1.0
F4 C:ALF401 3.6 61.0 1.0
O C:VAL206 3.8 96.8 1.0
CA C:THR186 3.9 0.7 1.0
O1B C:GDP400 4.0 59.8 1.0
O C:THR186 4.0 0.7 1.0
OG C:SER53 4.1 77.8 1.0
NZ C:LYS52 4.2 77.5 1.0
CE C:LYS52 4.4 77.9 1.0
N C:GLY208 4.4 0.7 1.0
O2A C:GDP400 4.4 63.0 1.0
C C:THR186 4.4 0.6 1.0
C C:PRO185 4.5 0.3 1.0
CA C:GLY207 4.5 0.8 1.0
O3A C:GDP400 4.6 61.1 1.0
CA C:PRO185 4.7 0.0 1.0
CG2 C:THR186 4.7 0.4 1.0
C C:VAL206 4.8 98.8 1.0
C C:GLY207 5.0 0.8 1.0

Fluorine binding site 8 out of 8 in 4ekc

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Fluorine binding site 8 out of 8 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 8 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
C:F401

b:61.0
occ:1.00
 F4 C:ALF401 0.0 61.0 1.0
AL C:ALF401 1.8 60.2 1.0
O3B C:GDP400 2.5 60.4 1.0
F2 C:ALF401 2.5 61.9 1.0
F1 C:ALF401 2.6 61.5 1.0
N C:GLU49 2.7 87.1 1.0
O C:HOH501 2.7 65.9 1.0
NE2 C:GLN209 2.9 0.6 1.0
CA C:GLY48 3.4 89.8 1.0
C C:GLY48 3.4 88.4 1.0
PB C:GDP400 3.4 59.4 1.0
O1B C:GDP400 3.5 59.8 1.0
CG C:GLU49 3.5 92.6 1.0
CA C:GLU49 3.5 87.0 1.0
OE1 C:GLN209 3.6 0.6 1.0
F3 C:ALF401 3.6 60.5 1.0
CD C:GLN209 3.6 0.5 1.0
CB C:GLU49 4.1 90.2 1.0
CD C:GLU49 4.2 95.6 1.0
N C:GLY208 4.2 0.7 1.0
NZ C:LYS52 4.3 77.5 1.0
OE1 C:GLU49 4.3 98.9 1.0
O2B C:GDP400 4.3 59.7 1.0
CA C:GLY208 4.3 0.1 1.0
N C:GLY48 4.5 92.0 1.0
O C:GLY48 4.6 88.2 1.0
C C:GLY208 4.6 0.7 1.0
O C:THR47 4.7 96.9 1.0
O3A C:GDP400 4.7 61.1 1.0
O C:GLY208 4.8 0.0 1.0
C C:GLU49 4.9 84.3 1.0
MG C:MG402 5.0 64.5 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 01:19:03 2024

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