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Fluorine in PDB 1zca: Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-

Protein crystallography data

The structure of Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-, PDB code: 1zca was solved by M.R.Nance, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.10 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.501, 85.230, 82.885, 90.00, 106.09, 90.00
R / Rfree (%) 23.6 / 29.6

Other elements in 1zca:

The structure of Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4- 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 Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4- (pdb code 1zca). 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 G Alpha 12 in Complex with Gdp, MG2+ and ALF4-, PDB code: 1zca:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 1zca

Go back to Fluorine Binding Sites List in 1zca
Fluorine binding site 1 out of 8 in the Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-


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 G Alpha 12 in Complex with Gdp, MG2+ and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F384

b:33.5
occ:1.00
 F1 A:ALF384 0.0 33.5 1.0
AL A:ALF384 1.8 34.1 1.0
O A:HOH385 2.4 35.5 1.0
F4 A:ALF384 2.5 33.5 1.0
N A:THR206 2.5 31.0 1.0
F3 A:ALF384 2.6 33.7 1.0
O A:HOH386 2.7 13.7 1.0
O3B A:GDP382 3.0 17.2 1.0
MG A:MG383 3.0 22.7 1.0
CA A:ALA205 3.1 29.2 1.0
C A:ALA205 3.2 29.9 1.0
NH1 A:ARG203 3.4 20.5 1.0
OG1 A:THR206 3.6 32.4 1.0
F2 A:ALF384 3.6 34.2 1.0
NH2 A:ARG203 3.6 20.9 1.0
CA A:THR206 3.6 31.8 1.0
CZ A:ARG203 3.7 20.4 1.0
O A:LYS204 3.7 26.8 1.0
CB A:THR206 3.7 31.8 1.0
CB A:ALA205 3.9 29.4 1.0
O2B A:GDP382 4.0 19.1 1.0
PB A:GDP382 4.1 16.9 1.0
O A:THR206 4.2 32.4 1.0
N A:ALA205 4.2 28.4 1.0
OE1 A:GLN229 4.3 38.7 1.0
C A:THR206 4.3 32.7 1.0
C A:LYS204 4.4 27.2 1.0
O2A A:GDP382 4.4 19.9 1.0
O A:HOH387 4.5 53.8 1.0
O A:ALA205 4.5 29.7 1.0
NE A:ARG203 4.7 21.7 1.0
OG A:SER69 4.8 25.2 1.0
O3A A:GDP382 4.9 19.6 1.0

Fluorine binding site 2 out of 8 in 1zca

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Fluorine binding site 2 out of 8 in the Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-


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 G Alpha 12 in Complex with Gdp, MG2+ and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F384

b:34.2
occ:1.00
 F2 A:ALF384 0.0 34.2 1.0
AL A:ALF384 1.8 34.1 1.0
O3B A:GDP382 2.4 17.2 1.0
F3 A:ALF384 2.5 33.7 1.0
F4 A:ALF384 2.5 33.5 1.0
N A:GLY228 2.8 35.6 1.0
NZ A:LYS68 2.8 25.1 1.0
CE A:LYS68 3.1 26.0 1.0
O A:HOH385 3.2 35.5 1.0
CA A:GLY228 3.3 36.0 1.0
PB A:GDP382 3.4 16.9 1.0
O1B A:GDP382 3.4 15.9 1.0
CA A:GLY64 3.4 33.0 1.0
F1 A:ALF384 3.6 33.5 1.0
N A:GLU65 3.7 33.7 1.0
C A:GLY227 3.8 35.7 1.0
O A:ALA63 3.9 32.6 1.0
O2B A:GDP382 3.9 19.1 1.0
CA A:GLY227 4.1 36.6 1.0
C A:GLY64 4.1 33.5 1.0
N A:GLY64 4.1 32.8 1.0
MG A:MG383 4.1 22.7 1.0
OE1 A:GLN229 4.3 38.7 1.0
C A:ALA63 4.3 32.4 1.0
C A:GLY228 4.3 35.8 1.0
O A:HOH387 4.3 53.8 1.0
N A:GLN229 4.5 36.3 1.0
CD A:LYS68 4.6 27.0 1.0
O A:VAL226 4.6 36.2 1.0
O A:GLY62 4.7 31.1 1.0
O3A A:GDP382 4.8 19.6 1.0
CD A:GLN229 4.8 37.4 1.0
CA A:GLU65 4.9 33.8 1.0
O A:GLY227 4.9 35.0 1.0
OG A:SER66 4.9 33.1 1.0

Fluorine binding site 3 out of 8 in 1zca

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Fluorine binding site 3 out of 8 in the Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-


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 G Alpha 12 in Complex with Gdp, MG2+ and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F384

b:33.7
occ:1.00
 F3 A:ALF384 0.0 33.7 1.0
AL A:ALF384 1.8 34.1 1.0
F2 A:ALF384 2.5 34.2 1.0
O3B A:GDP382 2.5 17.2 1.0
F1 A:ALF384 2.6 33.5 1.0
O A:HOH385 2.8 35.5 1.0
OE1 A:GLN229 2.9 38.7 1.0
NE2 A:GLN229 3.1 37.3 1.0
N A:GLU65 3.2 33.7 1.0
NH1 A:ARG203 3.3 20.5 1.0
CD A:GLN229 3.3 37.4 1.0
NH2 A:ARG203 3.3 20.9 1.0
CA A:GLY64 3.5 33.0 1.0
F4 A:ALF384 3.6 33.5 1.0
CZ A:ARG203 3.7 20.4 1.0
C A:GLY64 3.8 33.5 1.0
PB A:GDP382 4.0 16.9 1.0
CA A:GLU65 4.2 33.8 1.0
CG A:GLU65 4.4 35.5 1.0
N A:GLY228 4.5 35.6 1.0
CG A:GLN229 4.7 37.1 1.0
O1B A:GDP382 4.7 15.9 1.0
O2B A:GDP382 4.8 19.1 1.0
N A:GLY64 4.8 32.8 1.0
MG A:MG383 4.8 22.7 1.0
O3A A:GDP382 4.8 19.6 1.0
N A:THR206 4.8 31.0 1.0
O A:HOH386 4.8 13.7 1.0
CA A:ALA205 4.8 29.2 1.0
CB A:GLU65 4.9 34.1 1.0
N A:GLN229 4.9 36.3 1.0
CB A:ALA205 5.0 29.4 1.0
O A:GLY64 5.0 34.0 1.0

Fluorine binding site 4 out of 8 in 1zca

Go back to Fluorine Binding Sites List in 1zca
Fluorine binding site 4 out of 8 in the Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-


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 G Alpha 12 in Complex with Gdp, MG2+ and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F384

b:33.5
occ:1.00
 F4 A:ALF384 0.0 33.5 1.0
AL A:ALF384 1.8 34.1 1.0
MG A:MG383 1.8 22.7 1.0
O A:HOH387 2.3 53.8 1.0
F1 A:ALF384 2.5 33.5 1.0
F2 A:ALF384 2.5 34.2 1.0
O2B A:GDP382 2.8 19.1 1.0
O3B A:GDP382 2.8 17.2 1.0
O A:HOH385 2.9 35.5 1.0
OG1 A:THR206 3.1 32.4 1.0
CB A:THR206 3.3 31.8 1.0
PB A:GDP382 3.3 16.9 1.0
O A:HOH386 3.4 13.7 1.0
F3 A:ALF384 3.6 33.7 1.0
CE A:LYS68 3.7 26.0 1.0
O A:VAL226 3.7 36.2 1.0
CA A:GLY227 3.7 36.6 1.0
OG A:SER69 3.9 25.2 1.0
N A:THR206 3.9 31.0 1.0
O1B A:GDP382 4.1 15.9 1.0
N A:GLY228 4.1 35.6 1.0
CA A:THR206 4.1 31.8 1.0
NZ A:LYS68 4.4 25.1 1.0
C A:VAL226 4.4 37.2 1.0
C A:GLY227 4.4 35.7 1.0
O A:THR206 4.4 32.4 1.0
N A:GLY227 4.4 36.9 1.0
CG2 A:THR206 4.5 31.5 1.0
OD1 A:ASP225 4.7 42.3 1.0
O3A A:GDP382 4.7 19.6 1.0
C A:THR206 4.8 32.7 1.0
CB A:LYS68 4.8 27.5 1.0
CD A:LYS68 4.8 27.0 1.0
O2A A:GDP382 4.9 19.9 1.0

Fluorine binding site 5 out of 8 in 1zca

Go back to Fluorine Binding Sites List in 1zca
Fluorine binding site 5 out of 8 in the Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-


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 G Alpha 12 in Complex with Gdp, MG2+ and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1384

b:44.6
occ:1.00
 F1 B:ALF1384 0.0 44.6 1.0
AL B:ALF1384 1.8 44.5 1.0
O B:HOH1385 2.4 18.3 1.0
F4 B:ALF1384 2.5 45.1 1.0
F3 B:ALF1384 2.6 45.5 1.0
MG B:MG1383 2.6 27.2 1.0
N B:THR206 2.6 34.3 1.0
O3B B:GDP1382 2.7 27.9 1.0
O B:HOH1386 2.7 18.1 1.0
CA B:ALA205 3.2 33.0 1.0
C B:ALA205 3.4 33.7 1.0
NH1 B:ARG203 3.4 26.8 1.0
NH2 B:ARG203 3.4 27.5 1.0
F2 B:ALF1384 3.6 45.2 1.0
CZ B:ARG203 3.6 27.6 1.0
CA B:THR206 3.7 34.9 1.0
O B:LYS204 3.8 31.8 1.0
CB B:THR206 3.8 34.6 1.0
OG1 B:THR206 3.8 34.3 1.0
PB B:GDP1382 4.0 27.2 1.0
CB B:ALA205 4.0 33.2 1.0
O2B B:GDP1382 4.1 26.9 1.0
O B:THR206 4.2 35.7 1.0
N B:ALA205 4.3 32.4 1.0
O B:HOH1387 4.3 60.1 1.0
OE1 B:GLN229 4.3 41.1 1.0
O2A B:GDP1382 4.4 27.9 1.0
C B:THR206 4.4 35.8 1.0
C B:LYS204 4.4 31.5 1.0
NE B:ARG203 4.6 28.5 1.0
O B:ALA205 4.6 33.7 1.0
OG B:SER69 4.7 28.3 1.0
NE2 B:GLN229 4.8 39.1 1.0
O3A B:GDP1382 4.8 27.1 1.0

Fluorine binding site 6 out of 8 in 1zca

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Fluorine binding site 6 out of 8 in the Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-


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 G Alpha 12 in Complex with Gdp, MG2+ and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1384

b:45.2
occ:1.00
 F2 B:ALF1384 0.0 45.2 1.0
AL B:ALF1384 1.8 44.5 1.0
F3 B:ALF1384 2.5 45.5 1.0
F4 B:ALF1384 2.5 45.1 1.0
O3B B:GDP1382 2.6 27.9 1.0
N B:GLY228 2.7 39.0 1.0
NZ B:LYS68 2.9 28.9 1.0
O B:HOH1385 3.1 18.3 1.0
CE B:LYS68 3.1 28.2 1.0
CA B:GLY228 3.2 39.0 1.0
CA B:GLY64 3.4 33.8 1.0
O1B B:GDP1382 3.4 28.1 1.0
PB B:GDP1382 3.6 27.2 1.0
F1 B:ALF1384 3.6 44.6 1.0
C B:GLY227 3.7 39.5 1.0
MG B:MG1383 3.8 27.2 1.0
N B:GLU65 3.8 34.2 1.0
O B:ALA63 3.8 33.4 1.0
CA B:GLY227 4.0 40.1 1.0
N B:GLY64 4.0 33.7 1.0
C B:GLY64 4.1 34.1 1.0
C B:GLY228 4.1 38.9 1.0
OE1 B:GLN229 4.1 41.1 1.0
O2B B:GDP1382 4.2 26.9 1.0
C B:ALA63 4.2 33.3 1.0
N B:GLN229 4.3 39.0 1.0
O B:HOH1387 4.4 60.1 1.0
NE2 B:GLN229 4.5 39.1 1.0
CD B:GLN229 4.5 40.0 1.0
O B:VAL226 4.6 40.9 1.0
O B:GLY62 4.6 32.4 1.0
CD B:LYS68 4.6 28.7 1.0
O B:GLY227 4.8 39.4 1.0
O3A B:GDP1382 4.9 27.1 1.0

Fluorine binding site 7 out of 8 in 1zca

Go back to Fluorine Binding Sites List in 1zca
Fluorine binding site 7 out of 8 in the Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-


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 G Alpha 12 in Complex with Gdp, MG2+ and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1384

b:45.5
occ:1.00
 F3 B:ALF1384 0.0 45.5 1.0
AL B:ALF1384 1.8 44.5 1.0
F2 B:ALF1384 2.5 45.2 1.0
O3B B:GDP1382 2.5 27.9 1.0
F1 B:ALF1384 2.6 44.6 1.0
NE2 B:GLN229 2.7 39.1 1.0
O B:HOH1385 2.8 18.3 1.0
N B:GLU65 3.1 34.2 1.0
OE1 B:GLN229 3.1 41.1 1.0
NH2 B:ARG203 3.2 27.5 1.0
NH1 B:ARG203 3.2 26.8 1.0
CD B:GLN229 3.3 40.0 1.0
CA B:GLY64 3.4 33.8 1.0
F4 B:ALF1384 3.6 45.1 1.0
CZ B:ARG203 3.6 27.6 1.0
C B:GLY64 3.7 34.1 1.0
PB B:GDP1382 4.0 27.2 1.0
CA B:GLU65 4.2 34.3 1.0
MG B:MG1383 4.2 27.2 1.0
CG B:GLU65 4.4 36.3 1.0
O1B B:GDP1382 4.5 28.1 1.0
N B:GLY228 4.5 39.0 1.0
CG B:GLN229 4.7 39.7 1.0
O3A B:GDP1382 4.7 27.1 1.0
N B:GLY64 4.7 33.7 1.0
CB B:GLU65 4.8 35.0 1.0
O B:HOH1386 4.9 18.1 1.0
N B:THR206 4.9 34.3 1.0
O2B B:GDP1382 4.9 26.9 1.0
CA B:ALA205 4.9 33.0 1.0
N B:GLN229 4.9 39.0 1.0
O B:GLY64 4.9 34.0 1.0
NE B:ARG203 5.0 28.5 1.0

Fluorine binding site 8 out of 8 in 1zca

Go back to Fluorine Binding Sites List in 1zca
Fluorine binding site 8 out of 8 in the Crystal Structure of G Alpha 12 in Complex with Gdp, MG2+ and ALF4-


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 G Alpha 12 in Complex with Gdp, MG2+ and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1384

b:45.1
occ:1.00
 F4 B:ALF1384 0.0 45.1 1.0
MG B:MG1383 1.8 27.2 1.0
AL B:ALF1384 1.8 44.5 1.0
O B:HOH1387 2.4 60.1 1.0
F1 B:ALF1384 2.5 44.6 1.0
F2 B:ALF1384 2.5 45.2 1.0
O3B B:GDP1382 2.7 27.9 1.0
O B:HOH1385 2.7 18.3 1.0
O2B B:GDP1382 3.2 26.9 1.0
CB B:THR206 3.3 34.6 1.0
OG1 B:THR206 3.4 34.3 1.0
PB B:GDP1382 3.5 27.2 1.0
CA B:GLY227 3.5 40.1 1.0
O B:VAL226 3.5 40.9 1.0
F3 B:ALF1384 3.6 45.5 1.0
CE B:LYS68 3.6 28.2 1.0
O B:HOH1386 3.6 18.1 1.0
N B:THR206 3.9 34.3 1.0
N B:GLY228 3.9 39.0 1.0
OG B:SER69 4.0 28.3 1.0
CA B:THR206 4.1 34.9 1.0
O1B B:GDP1382 4.1 28.1 1.0
C B:VAL226 4.2 41.2 1.0
C B:GLY227 4.2 39.5 1.0
N B:GLY227 4.3 40.6 1.0
NZ B:LYS68 4.3 28.9 1.0
O B:THR206 4.3 35.7 1.0
CG2 B:THR206 4.4 34.2 1.0
OD1 B:ASP225 4.6 45.7 1.0
C B:THR206 4.7 35.8 1.0
CD B:LYS68 4.8 28.7 1.0
CB B:LYS68 4.8 28.7 1.0
O3A B:GDP1382 4.9 27.1 1.0

Reference:

B.Kreutz, D.M.Yau, M.R.Nance, S.Tanabe, J.J.Tesmer, T.Kozasa. A New Approach to Producing Functional G Alpha Subunits Yields the Activated and Deactivated Structures of G Alpha(12/13) Proteins. Biochemistry V. 45 167 2006.
ISSN: ISSN 0006-2960
PubMed: 16388592
DOI: 10.1021/BI051729T
Page generated: Wed Jul 31 13:37:15 2024

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