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Fluorine in PDB 2rgn: Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa

Protein crystallography data

The structure of Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa, PDB code: 2rgn was solved by A.Shankaranarayanan, 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) 20.00 / 3.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 67.187, 68.056, 138.018, 80.87, 85.16, 87.09
R / Rfree (%) 24.3 / 29.9

Other elements in 2rgn:

The structure of Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa 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 P63RHOGEF Complex with Galpha-Q and Rhoa (pdb code 2rgn). 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 P63RHOGEF Complex with Galpha-Q and Rhoa, PDB code: 2rgn:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 2rgn

Go back to Fluorine Binding Sites List in 2rgn
Fluorine binding site 1 out of 8 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


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 P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F361

b:0.2
occ:1.00
 F1 A:ALF361 0.0 0.2 1.0
AL A:ALF361 1.9 0.8 1.0
F2 A:ALF361 2.6 0.9 1.0
O A:HOH363 2.6 0.1 1.0
O3B A:GDP360 2.6 0.9 1.0
F4 A:ALF361 2.6 0.9 1.0
CA A:GLY48 2.7 0.1 1.0
N A:GLU49 3.0 0.6 1.0
NE2 A:GLN209 3.2 0.8 1.0
C A:GLY48 3.3 0.9 1.0
OE1 A:GLN209 3.3 0.2 1.0
NH2 A:ARG183 3.4 0.3 1.0
CD A:GLN209 3.6 0.1 1.0
F3 A:ALF361 3.7 0.4 1.0
NH1 A:ARG183 4.0 0.3 1.0
N A:GLY48 4.0 0.8 1.0
PB A:GDP360 4.1 1.0 1.0
CZ A:ARG183 4.1 0.0 1.0
CA A:GLU49 4.2 0.6 1.0
CA A:GLY208 4.3 0.6 1.0
CG A:GLU49 4.3 0.2 1.0
O A:GLY48 4.5 0.5 1.0
O1B A:GDP360 4.5 0.3 1.0
N A:GLY208 4.5 0.1 1.0
O A:HOH364 4.7 0.6 1.0
N A:GLN209 4.8 0.3 1.0
NZ A:LYS52 4.8 0.8 1.0
C A:GLY208 4.8 0.3 1.0
CB A:GLU49 4.8 0.2 1.0
O3A A:GDP360 4.9 0.3 1.0
O2B A:GDP360 5.0 0.3 1.0
CG A:GLN209 5.0 0.3 1.0

Fluorine binding site 2 out of 8 in 2rgn

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Fluorine binding site 2 out of 8 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


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 P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F361

b:0.9
occ:1.00
 F2 A:ALF361 0.0 0.9 1.0
AL A:ALF361 1.8 0.8 1.0
O A:HOH364 2.6 0.6 1.0
O A:HOH363 2.6 0.1 1.0
F3 A:ALF361 2.6 0.4 1.0
F1 A:ALF361 2.6 0.2 1.0
O3B A:GDP360 2.6 0.9 1.0
NH1 A:ARG183 2.8 0.3 1.0
NH2 A:ARG183 3.0 0.3 1.0
CZ A:ARG183 3.1 0.0 1.0
CA A:PRO185 3.2 0.9 1.0
N A:THR186 3.2 0.1 1.0
CB A:PRO185 3.5 0.1 1.0
MG A:MG362 3.6 0.2 1.0
C A:PRO185 3.7 0.6 1.0
F4 A:ALF361 3.7 0.9 1.0
PB A:GDP360 3.9 1.0 1.0
OG1 A:THR186 4.0 0.8 1.0
NE A:ARG183 4.1 0.4 1.0
O2B A:GDP360 4.3 0.3 1.0
N A:PRO185 4.4 0.9 1.0
CA A:THR186 4.4 0.6 1.0
O3A A:GDP360 4.4 0.3 1.0
O2A A:GDP360 4.5 0.1 1.0
N A:GLU49 4.6 0.6 1.0
CB A:THR186 4.6 0.3 1.0
O A:THR186 4.6 0.3 1.0
NE2 A:GLN209 4.7 0.8 1.0
O A:VAL184 4.8 0.0 1.0
OE1 A:GLN209 4.8 0.2 1.0
CD A:ARG183 4.9 0.7 1.0
O A:PRO185 4.9 0.7 1.0
CG A:PRO185 4.9 0.9 1.0
C A:VAL184 5.0 0.8 1.0

Fluorine binding site 3 out of 8 in 2rgn

Go back to Fluorine Binding Sites List in 2rgn
Fluorine binding site 3 out of 8 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


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 P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F361

b:0.4
occ:1.00
 F3 A:ALF361 0.0 0.4 1.0
AL A:ALF361 1.9 0.8 1.0
MG A:MG362 2.0 0.2 1.0
OG1 A:THR186 2.2 0.8 1.0
F2 A:ALF361 2.6 0.9 1.0
F4 A:ALF361 2.6 0.9 1.0
O A:HOH363 2.6 0.1 1.0
O3B A:GDP360 2.6 0.9 1.0
O A:HOH365 2.9 0.6 1.0
O A:HOH364 2.9 0.6 1.0
O2B A:GDP360 2.9 0.3 1.0
CB A:THR186 3.0 0.3 1.0
N A:THR186 3.3 0.1 1.0
PB A:GDP360 3.4 1.0 1.0
CA A:THR186 3.7 0.6 1.0
F1 A:ALF361 3.7 0.2 1.0
OG A:SER53 4.1 0.1 1.0
O A:VAL206 4.2 0.7 1.0
O A:THR186 4.2 0.3 1.0
CG2 A:THR186 4.3 0.7 1.0
O1B A:GDP360 4.3 0.3 1.0
C A:THR186 4.5 0.1 1.0
C A:PRO185 4.5 0.6 1.0
O3A A:GDP360 4.6 0.3 1.0
NZ A:LYS52 4.6 0.8 1.0
NH1 A:ARG183 4.6 0.3 1.0
CA A:PRO185 4.7 0.9 1.0
CE A:LYS52 4.8 0.9 1.0
O2A A:GDP360 4.8 0.1 1.0
CA A:GLY207 4.9 0.3 1.0
N A:GLY208 5.0 0.1 1.0

Fluorine binding site 4 out of 8 in 2rgn

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Fluorine binding site 4 out of 8 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


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 P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F361

b:0.9
occ:1.00
 F4 A:ALF361 0.0 0.9 1.0
AL A:ALF361 1.9 0.8 1.0
O A:HOH363 2.6 0.1 1.0
F3 A:ALF361 2.6 0.4 1.0
O3B A:GDP360 2.6 0.9 1.0
F1 A:ALF361 2.6 0.2 1.0
NZ A:LYS52 2.8 0.8 1.0
CA A:GLY208 3.2 0.6 1.0
N A:GLY208 3.2 0.1 1.0
CE A:LYS52 3.4 0.9 1.0
CA A:GLY48 3.4 0.1 1.0
C A:GLY207 3.5 0.5 1.0
PB A:GDP360 3.5 1.0 1.0
O1B A:GDP360 3.6 0.3 1.0
F2 A:ALF361 3.7 0.9 1.0
O2B A:GDP360 3.9 0.3 1.0
O A:GLY207 3.9 0.4 1.0
O A:VAL206 4.0 0.7 1.0
CA A:GLY207 4.2 0.3 1.0
N A:GLY48 4.2 0.8 1.0
N A:GLU49 4.3 0.6 1.0
MG A:MG362 4.3 0.2 1.0
C A:GLY48 4.4 0.9 1.0
OE1 A:GLN209 4.4 0.2 1.0
C A:GLY208 4.4 0.3 1.0
O A:HOH365 4.6 0.6 1.0
O A:THR47 4.6 0.0 1.0
OG1 A:THR186 4.7 0.8 1.0
C A:THR47 4.7 0.8 1.0
O A:GLY46 4.8 0.9 1.0
CD A:LYS52 4.9 1.0 1.0
N A:GLN209 4.9 0.3 1.0
O A:HOH364 4.9 0.6 1.0
C A:VAL206 4.9 1.0 1.0

Fluorine binding site 5 out of 8 in 2rgn

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Fluorine binding site 5 out of 8 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


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 P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F361

b:0.6
occ:1.00
 F1 D:ALF361 0.0 0.6 1.0
AL D:ALF361 1.9 0.4 1.0
F2 D:ALF361 2.6 0.9 1.0
O D:HOH363 2.6 0.4 1.0
F4 D:ALF361 2.6 0.7 1.0
O3B D:GDP360 2.6 0.5 1.0
CA D:GLY48 2.7 0.1 1.0
N D:GLU49 2.9 0.7 1.0
OE1 D:GLN209 2.9 0.7 1.0
C D:GLY48 3.2 0.1 1.0
NH2 D:ARG183 3.3 0.1 1.0
NE2 D:GLN209 3.3 0.8 1.0
CD D:GLN209 3.5 0.3 1.0
F3 D:ALF361 3.7 0.7 1.0
NH1 D:ARG183 3.7 0.8 1.0
CZ D:ARG183 4.0 0.1 1.0
N D:GLY48 4.0 0.7 1.0
PB D:GDP360 4.1 0.5 1.0
CA D:GLU49 4.1 0.6 1.0
CG D:GLU49 4.1 0.5 1.0
O D:GLY48 4.4 0.6 1.0
CA D:GLY208 4.4 0.7 1.0
O1B D:GDP360 4.4 0.8 1.0
NZ D:LYS52 4.5 0.8 1.0
N D:GLY208 4.7 0.2 1.0
CB D:GLU49 4.7 0.1 1.0
N D:GLN209 4.8 0.1 1.0
O3A D:GDP360 4.8 0.6 1.0
C D:GLY208 4.9 0.3 1.0
OE2 D:GLU49 4.9 0.4 1.0

Fluorine binding site 6 out of 8 in 2rgn

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Fluorine binding site 6 out of 8 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


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 P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F361

b:0.9
occ:1.00
 F2 D:ALF361 0.0 0.9 1.0
AL D:ALF361 1.9 0.4 1.0
F1 D:ALF361 2.6 0.6 1.0
F3 D:ALF361 2.6 0.7 1.0
O D:HOH363 2.6 0.4 1.0
O3B D:GDP360 2.6 0.5 1.0
NH1 D:ARG183 2.7 0.8 1.0
NH2 D:ARG183 2.9 0.1 1.0
CZ D:ARG183 3.0 0.1 1.0
CA D:PRO185 3.0 0.8 1.0
CB D:PRO185 3.2 0.0 1.0
N D:THR186 3.2 0.1 1.0
O D:HOH364 3.2 0.7 1.0
C D:PRO185 3.6 0.6 1.0
F4 D:ALF361 3.7 0.7 1.0
MG D:MG362 3.9 0.4 1.0
PB D:GDP360 4.0 0.5 1.0
NE D:ARG183 4.1 0.7 1.0
OG1 D:THR186 4.1 0.9 1.0
N D:PRO185 4.3 0.9 1.0
CA D:THR186 4.4 0.7 1.0
O2B D:GDP360 4.4 0.3 1.0
O D:THR186 4.5 0.3 1.0
O2A D:GDP360 4.6 0.7 1.0
CG D:PRO185 4.6 0.6 1.0
OE1 D:GLN209 4.6 0.7 1.0
O3A D:GDP360 4.6 0.6 1.0
CB D:THR186 4.7 0.6 1.0
N D:GLU49 4.7 0.7 1.0
O D:PRO185 4.8 0.6 1.0
NE2 D:GLN209 4.9 0.8 1.0
C D:THR186 4.9 0.1 1.0
CD D:ARG183 4.9 0.6 1.0
O D:VAL184 4.9 0.3 1.0

Fluorine binding site 7 out of 8 in 2rgn

Go back to Fluorine Binding Sites List in 2rgn
Fluorine binding site 7 out of 8 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


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 P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F361

b:0.7
occ:1.00
 F3 D:ALF361 0.0 0.7 1.0
AL D:ALF361 1.9 0.4 1.0
MG D:MG362 2.0 0.4 1.0
OG1 D:THR186 2.4 0.9 1.0
F2 D:ALF361 2.6 0.9 1.0
F4 D:ALF361 2.6 0.7 1.0
O D:HOH363 2.6 0.4 1.0
O3B D:GDP360 2.6 0.5 1.0
O D:HOH365 2.9 0.1 1.0
O D:HOH364 2.9 0.7 1.0
CB D:THR186 3.0 0.6 1.0
N D:THR186 3.3 0.1 1.0
O2B D:GDP360 3.3 0.3 1.0
PB D:GDP360 3.5 0.5 1.0
CA D:THR186 3.6 0.7 1.0
F1 D:ALF361 3.7 0.6 1.0
O D:THR186 4.0 0.3 1.0
OG D:SER53 4.1 0.9 1.0
O D:VAL206 4.2 0.7 1.0
C D:THR186 4.3 0.1 1.0
O1B D:GDP360 4.3 0.8 1.0
CG2 D:THR186 4.4 0.3 1.0
C D:PRO185 4.4 0.6 1.0
CE D:LYS52 4.4 0.2 1.0
NZ D:LYS52 4.5 0.8 1.0
CA D:PRO185 4.6 0.8 1.0
NH1 D:ARG183 4.6 0.8 1.0
CA D:GLY207 4.6 0.2 1.0
N D:GLY208 4.8 0.2 1.0
C D:GLY207 4.8 0.4 1.0
O3A D:GDP360 4.8 0.6 1.0

Fluorine binding site 8 out of 8 in 2rgn

Go back to Fluorine Binding Sites List in 2rgn
Fluorine binding site 8 out of 8 in the Crystal Structure of P63RHOGEF Complex with Galpha-Q and Rhoa


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 P63RHOGEF Complex with Galpha-Q and Rhoa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F361

b:0.7
occ:1.00
 F4 D:ALF361 0.0 0.7 1.0
AL D:ALF361 1.9 0.4 1.0
NZ D:LYS52 2.5 0.8 1.0
O D:HOH363 2.6 0.4 1.0
F3 D:ALF361 2.6 0.7 1.0
F1 D:ALF361 2.6 0.6 1.0
O3B D:GDP360 2.6 0.5 1.0
CE D:LYS52 3.0 0.2 1.0
N D:GLY208 3.1 0.2 1.0
CA D:GLY208 3.2 0.7 1.0
CA D:GLY48 3.3 0.1 1.0
O1B D:GDP360 3.5 0.8 1.0
C D:GLY207 3.5 0.4 1.0
PB D:GDP360 3.6 0.5 1.0
F2 D:ALF361 3.7 0.9 1.0
O D:GLY207 3.9 0.2 1.0
MG D:MG362 4.0 0.4 1.0
O2B D:GDP360 4.1 0.3 1.0
O D:HOH365 4.1 0.1 1.0
N D:GLY48 4.1 0.7 1.0
OE1 D:GLN209 4.1 0.7 1.0
O D:VAL206 4.2 0.7 1.0
N D:GLU49 4.2 0.7 1.0
CA D:GLY207 4.3 0.2 1.0
C D:GLY48 4.3 0.1 1.0
C D:GLY208 4.3 0.3 1.0
O D:THR47 4.5 0.2 1.0
CD D:LYS52 4.5 0.5 1.0
C D:THR47 4.6 0.8 1.0
O D:GLY46 4.7 0.7 1.0
N D:GLN209 4.8 0.1 1.0
O D:HOH364 4.9 0.7 1.0
OG1 D:THR186 5.0 0.9 1.0

Reference:

S.Lutz, A.Shankaranarayanan, C.Coco, M.Ridilla, M.R.Nance, C.Vettel, D.Baltus, C.R.Evelyn, R.R.Neubig, T.Wieland, J.J.Tesmer. Structure of Galphaq-P63RHOGEF-Rhoa Complex Reveals A Pathway For the Activation of Rhoa By Gpcrs. Science V. 318 1923 2007.
ISSN: ISSN 0036-8075
PubMed: 18096806
DOI: 10.1126/SCIENCE.1147554
Page generated: Wed Jul 31 16:00:35 2024

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