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Fluorine in PDB 4gnk: Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3

Enzymatic activity of Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3

All present enzymatic activity of Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3:
3.1.4.11;

Protein crystallography data

The structure of Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3, PDB code: 4gnk 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) 19.99 / 4.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.423, 188.845, 293.857, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 25.5

Other elements in 4gnk:

The structure of Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Aluminium (Al) 2 atoms
Calcium (Ca) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3 (pdb code 4gnk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3, PDB code: 4gnk:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 4gnk

Go back to Fluorine Binding Sites List in 4gnk
Fluorine binding site 1 out of 8 in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3


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 Galphaq in Complex with Full-Length Human PLCBETA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:95.6
occ:1.00
 F1 A:ALF402 0.0 95.6 1.0
AL A:ALF402 1.9 93.4 1.0
O3B A:GDP401 2.6 94.1 1.0
F2 A:ALF402 2.6 95.0 1.0
F4 A:ALF402 2.6 95.8 1.0
O A:HOH501 2.6 92.1 1.0
NE2 A:GLN209 2.8 93.7 1.0
N A:GLU49 2.9 0.3 1.0
O1B A:GDP401 3.1 94.2 1.0
PB A:GDP401 3.4 94.1 1.0
CA A:GLY48 3.5 0.0 1.0
CD A:GLN209 3.6 93.1 1.0
F3 A:ALF402 3.7 93.0 1.0
C A:GLY48 3.7 1.0 1.0
OE1 A:GLN209 3.7 89.9 1.0
CA A:GLU49 3.9 0.0 1.0
NH2 A:ARG183 4.0 0.4 1.0
N A:GLY208 4.1 96.2 1.0
CA A:GLY208 4.1 96.4 1.0
NH1 A:ARG183 4.2 0.4 1.0
NZ A:LYS52 4.2 0.9 1.0
O3A A:GDP401 4.4 94.8 1.0
CG A:GLU49 4.4 0.1 1.0
O A:THR47 4.6 0.3 1.0
N A:GLY48 4.6 0.1 1.0
O2B A:GDP401 4.6 93.4 1.0
CZ A:ARG183 4.6 0.2 1.0
N A:GLN209 4.7 97.1 1.0
MG A:MG403 4.7 96.1 1.0
CB A:GLU49 4.7 0.5 1.0
C A:GLY208 4.7 97.1 1.0
CG A:GLN209 4.9 95.3 1.0
O A:HOH502 4.9 98.4 1.0
O A:GLY48 4.9 1.0 1.0
C A:THR47 5.0 0.2 1.0

Fluorine binding site 2 out of 8 in 4gnk

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Fluorine binding site 2 out of 8 in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3


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 Galphaq in Complex with Full-Length Human PLCBETA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:95.0
occ:1.00
 F2 A:ALF402 0.0 95.0 1.0
AL A:ALF402 1.8 93.4 1.0
F3 A:ALF402 2.6 93.0 1.0
O A:HOH501 2.6 92.1 1.0
F1 A:ALF402 2.6 95.6 1.0
NZ A:LYS52 2.8 0.9 1.0
O3B A:GDP401 2.8 94.1 1.0
O1B A:GDP401 2.9 94.2 1.0
N A:GLY208 3.0 96.2 1.0
PB A:GDP401 3.0 94.1 1.0
CE A:LYS52 3.1 0.8 1.0
O A:HOH503 3.1 96.2 1.0
MG A:MG403 3.4 96.1 1.0
CA A:GLY208 3.4 96.4 1.0
O2B A:GDP401 3.4 93.4 1.0
F4 A:ALF402 3.7 95.8 1.0
C A:GLY207 3.7 97.1 1.0
O A:VAL206 3.7 94.5 1.0
CA A:GLY207 4.0 98.5 1.0
CD A:LYS52 4.5 0.7 1.0
N A:GLU49 4.6 0.3 1.0
O3A A:GDP401 4.6 94.8 1.0
O A:THR47 4.6 0.3 1.0
O A:HOH502 4.6 98.4 1.0
O A:GLY207 4.6 95.9 1.0
C A:VAL206 4.7 95.2 1.0
C A:GLY208 4.7 97.1 1.0
N A:GLY207 4.8 97.2 1.0
CB A:LYS52 4.9 0.8 1.0
O A:THR186 4.9 95.9 1.0
CG A:LYS52 4.9 0.8 1.0
OG1 A:THR186 4.9 0.0 1.0
CB A:THR186 4.9 0.6 1.0
CA A:GLY48 5.0 0.0 1.0

Fluorine binding site 3 out of 8 in 4gnk

Go back to Fluorine Binding Sites List in 4gnk
Fluorine binding site 3 out of 8 in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3


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 Galphaq in Complex with Full-Length Human PLCBETA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:93.0
occ:1.00
 F3 A:ALF402 0.0 93.0 1.0
AL A:ALF402 1.8 93.4 1.0
MG A:MG403 2.0 96.1 1.0
F2 A:ALF402 2.6 95.0 1.0
F4 A:ALF402 2.6 95.8 1.0
O A:HOH501 2.6 92.1 1.0
OG1 A:THR186 2.6 0.0 1.0
O3B A:GDP401 2.6 94.1 1.0
CB A:THR186 2.6 0.6 1.0
N A:THR186 2.7 0.8 1.0
O A:HOH502 2.9 98.4 1.0
O A:HOH503 2.9 96.2 1.0
CA A:THR186 3.0 0.8 1.0
O A:THR186 3.3 95.9 1.0
C A:THR186 3.5 99.8 1.0
PB A:GDP401 3.6 94.1 1.0
O2B A:GDP401 3.6 93.4 1.0
F1 A:ALF402 3.7 95.6 1.0
C A:PRO185 3.9 98.9 1.0
OG A:SER53 3.9 99.0 1.0
CG2 A:THR186 4.1 0.9 1.0
O A:VAL206 4.2 94.5 1.0
CA A:PRO185 4.3 94.6 1.0
CA A:GLY207 4.4 98.5 1.0
O1B A:GDP401 4.4 94.2 1.0
N A:GLY208 4.6 96.2 1.0
N A:THR187 4.7 99.4 1.0
O3A A:GDP401 4.9 94.8 1.0
O A:PRO185 4.9 0.6 1.0
NH1 A:ARG183 4.9 0.4 1.0
C A:GLY207 5.0 97.1 1.0

Fluorine binding site 4 out of 8 in 4gnk

Go back to Fluorine Binding Sites List in 4gnk
Fluorine binding site 4 out of 8 in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:95.8
occ:1.00
 F4 A:ALF402 0.0 95.8 1.0
AL A:ALF402 1.8 93.4 1.0
O3B A:GDP401 2.4 94.1 1.0
F3 A:ALF402 2.6 93.0 1.0
O A:HOH501 2.6 92.1 1.0
F1 A:ALF402 2.6 95.6 1.0
NH1 A:ARG183 3.0 0.4 1.0
CA A:PRO185 3.1 94.6 1.0
NH2 A:ARG183 3.1 0.4 1.0
N A:THR186 3.1 0.8 1.0
O A:HOH502 3.3 98.4 1.0
CB A:PRO185 3.3 93.4 1.0
CZ A:ARG183 3.5 0.2 1.0
C A:PRO185 3.5 98.9 1.0
F2 A:ALF402 3.7 95.0 1.0
PB A:GDP401 3.9 94.1 1.0
MG A:MG403 3.9 96.1 1.0
O A:THR186 4.0 95.9 1.0
NE2 A:GLN209 4.1 93.7 1.0
OE1 A:GLN209 4.2 89.9 1.0
CA A:THR186 4.3 0.8 1.0
N A:PRO185 4.4 93.1 1.0
O1B A:GDP401 4.6 94.2 1.0
OG1 A:THR186 4.6 0.0 1.0
O2A A:GDP401 4.6 94.2 1.0
CD A:GLN209 4.6 93.1 1.0
O3A A:GDP401 4.6 94.8 1.0
C A:THR186 4.6 99.8 1.0
O A:PRO185 4.7 0.6 1.0
NE A:ARG183 4.7 0.3 1.0
O2B A:GDP401 4.7 93.4 1.0
CB A:THR186 4.7 0.6 1.0
CG A:PRO185 4.8 93.8 1.0
O A:VAL184 4.8 92.2 1.0

Fluorine binding site 5 out of 8 in 4gnk

Go back to Fluorine Binding Sites List in 4gnk
Fluorine binding site 5 out of 8 in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F402

b:82.8
occ:1.00
 F1 C:ALF402 0.0 82.8 1.0
AL C:ALF402 1.8 82.4 1.0
O3B C:GDP401 2.5 87.1 1.0
F2 C:ALF402 2.6 85.1 1.0
F4 C:ALF402 2.6 83.8 1.0
O C:HOH501 2.6 82.4 1.0
NE2 C:GLN209 2.7 95.3 1.0
N C:GLU49 2.9 0.7 1.0
CA C:GLY48 3.4 0.2 1.0
CD C:GLN209 3.5 94.4 1.0
O1B C:GDP401 3.5 86.4 1.0
PB C:GDP401 3.5 87.5 1.0
OE1 C:GLN209 3.5 92.1 1.0
C C:GLY48 3.6 0.6 1.0
F3 C:ALF402 3.7 85.3 1.0
CA C:GLU49 3.9 0.5 1.0
NH2 C:ARG183 3.9 98.1 1.0
NH1 C:ARG183 4.1 98.0 1.0
N C:GLY208 4.1 93.1 1.0
CA C:GLY208 4.2 94.8 1.0
NZ C:LYS52 4.3 0.2 1.0
CG C:GLU49 4.3 0.8 1.0
O C:THR47 4.4 0.8 1.0
CZ C:ARG183 4.5 98.0 1.0
N C:GLY48 4.5 0.5 1.0
O3A C:GDP401 4.6 86.5 1.0
C C:GLY208 4.6 97.5 1.0
CB C:GLU49 4.7 0.1 1.0
O2B C:GDP401 4.7 87.0 1.0
N C:GLN209 4.7 97.1 1.0
O C:GLY48 4.8 0.3 1.0
CG C:GLN209 4.8 95.6 1.0
C C:THR47 4.9 0.4 1.0
MG C:MG403 5.0 87.5 1.0

Fluorine binding site 6 out of 8 in 4gnk

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Fluorine binding site 6 out of 8 in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F402

b:85.1
occ:1.00
 F2 C:ALF402 0.0 85.1 1.0
AL C:ALF402 1.8 82.4 1.0
F3 C:ALF402 2.6 85.3 1.0
O C:HOH501 2.6 82.4 1.0
F1 C:ALF402 2.6 82.8 1.0
NZ C:LYS52 2.6 0.2 1.0
O3B C:GDP401 2.9 87.1 1.0
N C:GLY208 2.9 93.1 1.0
O1B C:GDP401 3.0 86.4 1.0
PB C:GDP401 3.1 87.5 1.0
CE C:LYS52 3.1 0.9 1.0
O C:HOH503 3.2 89.9 1.0
CA C:GLY208 3.3 94.8 1.0
O2B C:GDP401 3.4 87.0 1.0
MG C:MG403 3.5 87.5 1.0
C C:GLY207 3.6 91.0 1.0
F4 C:ALF402 3.7 83.8 1.0
O C:VAL206 3.8 84.1 1.0
CA C:GLY207 3.9 89.8 1.0
O C:THR47 4.4 0.8 1.0
N C:GLU49 4.5 0.7 1.0
CD C:LYS52 4.5 0.7 1.0
O C:GLY207 4.5 91.7 1.0
C C:GLY208 4.6 97.5 1.0
O3A C:GDP401 4.7 86.5 1.0
C C:VAL206 4.7 86.3 1.0
N C:GLY207 4.8 87.8 1.0
CA C:GLY48 4.9 0.2 1.0
O C:HOH502 4.9 85.1 1.0
NE2 C:GLN209 4.9 95.3 1.0
OE1 C:GLN209 4.9 92.1 1.0
CB C:THR186 4.9 96.8 1.0
OG1 C:THR186 4.9 99.5 1.0
CG C:LYS52 4.9 0.9 1.0
N C:GLN209 4.9 97.1 1.0
CB C:LYS52 4.9 0.3 1.0

Fluorine binding site 7 out of 8 in 4gnk

Go back to Fluorine Binding Sites List in 4gnk
Fluorine binding site 7 out of 8 in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F402

b:85.3
occ:1.00
 F3 C:ALF402 0.0 85.3 1.0
AL C:ALF402 1.8 82.4 1.0
MG C:MG403 2.0 87.5 1.0
F4 C:ALF402 2.6 83.8 1.0
O C:HOH501 2.6 82.4 1.0
F2 C:ALF402 2.6 85.1 1.0
O3B C:GDP401 2.7 87.1 1.0
OG1 C:THR186 2.7 99.5 1.0
N C:THR186 2.7 92.7 1.0
CB C:THR186 2.8 96.8 1.0
O C:HOH503 2.9 89.9 1.0
O C:HOH502 2.9 85.1 1.0
O2B C:GDP401 3.1 87.0 1.0
CA C:THR186 3.2 94.5 1.0
PB C:GDP401 3.4 87.5 1.0
O C:THR186 3.6 91.8 1.0
F1 C:ALF402 3.7 82.8 1.0
C C:THR186 3.8 93.5 1.0
C C:PRO185 3.8 91.9 1.0
OG C:SER53 3.9 96.9 1.0
CA C:PRO185 4.2 90.8 1.0
CG2 C:THR186 4.3 97.9 1.0
O C:VAL206 4.3 84.1 1.0
O1B C:GDP401 4.3 86.4 1.0
CA C:GLY207 4.5 89.8 1.0
NH1 C:ARG183 4.7 98.0 1.0
N C:GLY208 4.7 93.1 1.0
O3A C:GDP401 4.7 86.5 1.0
O2A C:GDP401 4.8 83.0 1.0
O C:PRO185 4.9 92.9 1.0
CB C:PRO185 4.9 89.9 1.0
NZ C:LYS52 5.0 0.2 1.0
N C:THR187 5.0 94.8 1.0

Fluorine binding site 8 out of 8 in 4gnk

Go back to Fluorine Binding Sites List in 4gnk
Fluorine binding site 8 out of 8 in the Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Galphaq in Complex with Full-Length Human PLCBETA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F402

b:83.8
occ:1.00
 F4 C:ALF402 0.0 83.8 1.0
AL C:ALF402 1.8 82.4 1.0
O3B C:GDP401 2.3 87.1 1.0
F3 C:ALF402 2.6 85.3 1.0
O C:HOH501 2.6 82.4 1.0
F1 C:ALF402 2.6 82.8 1.0
NH1 C:ARG183 2.8 98.0 1.0
NH2 C:ARG183 2.9 98.1 1.0
CA C:PRO185 3.1 90.8 1.0
CZ C:ARG183 3.2 98.0 1.0
CB C:PRO185 3.3 89.9 1.0
N C:THR186 3.4 92.7 1.0
O C:HOH502 3.6 85.1 1.0
C C:PRO185 3.7 91.9 1.0
F2 C:ALF402 3.7 85.1 1.0
PB C:GDP401 3.8 87.5 1.0
MG C:MG403 4.0 87.5 1.0
OE1 C:GLN209 4.2 92.1 1.0
NE2 C:GLN209 4.2 95.3 1.0
O C:THR186 4.4 91.8 1.0
N C:PRO185 4.4 91.4 1.0
NE C:ARG183 4.4 98.9 1.0
O2B C:GDP401 4.4 87.0 1.0
CA C:THR186 4.6 94.5 1.0
O3A C:GDP401 4.6 86.5 1.0
O2A C:GDP401 4.6 83.0 1.0
CD C:GLN209 4.7 94.4 1.0
O1B C:GDP401 4.7 86.4 1.0
CG C:PRO185 4.7 90.4 1.0
O C:PRO185 4.8 92.9 1.0
OG1 C:THR186 4.8 99.5 1.0
O C:VAL184 4.9 96.2 1.0
N C:GLU49 5.0 0.7 1.0
CB C:THR186 5.0 96.8 1.0
C C:THR186 5.0 93.5 1.0

Reference:

A.M.Lyon, S.Dutta, C.A.Boguth, G.Skiniotis, J.J.Tesmer. Full-Length G Alpha (Q)-Phospholipase C-Beta 3 Structure Reveals Interfaces of the C-Terminal Coiled-Coil Domain. Nat.Struct.Mol.Biol. V. 20 355 2013.
ISSN: ISSN 1545-9993
PubMed: 23377541
DOI: 10.1038/NSMB.2497
Page generated: Thu Aug 1 01:53:16 2024

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