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Fluorine in PDB 4s3g: Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus

Enzymatic activity of Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus

All present enzymatic activity of Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus:
4.6.1.13;

Protein crystallography data

The structure of Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus, PDB code: 4s3g was solved by T.He, A.Gershenson, S.J.Eyles, J.Gao, M.F.Roberts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.26 / 2.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 60.050, 60.050, 191.330, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 29.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus (pdb code 4s3g). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus, PDB code: 4s3g:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in 4s3g

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Fluorine binding site 1 out of 5 in the Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F249

b:61.9
occ:1.00
 FD1 A:PF5249 0.0 61.9 1.0
CD1 A:PF5249 1.3 59.2 1.0
CE1 A:PF5249 2.3 59.3 1.0
CG A:PF5249 2.4 62.7 1.0
FE1 A:PF5249 2.6 63.1 1.0
CB A:PF5249 2.8 64.5 1.0
CB A:ASN250 2.9 65.3 1.0
N A:ASN250 3.0 67.8 1.0
CA A:ASN250 3.2 62.8 1.0
CG A:ASN250 3.2 67.5 1.0
C A:PF5249 3.4 66.4 1.0
OD1 A:ASN250 3.5 67.2 1.0
CA A:PF5249 3.6 70.6 1.0
CD2 A:PF5249 3.6 62.9 1.0
CZ A:PF5249 3.6 63.2 1.0
ND2 A:ASN250 3.9 69.4 1.0
CE2 A:PF5249 4.1 70.0 1.0
O A:PF5249 4.2 69.4 1.0
N A:PF5249 4.4 69.9 1.0
C A:ASN250 4.7 65.9 1.0
FZ A:PF5249 4.7 55.9 1.0
FD2 A:PF5249 4.8 69.3 1.0
OG A:SER247 4.9 65.3 1.0

Fluorine binding site 2 out of 5 in 4s3g

Go back to Fluorine Binding Sites List in 4s3g
Fluorine binding site 2 out of 5 in the Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F249

b:69.3
occ:1.00
 FD2 A:PF5249 0.0 69.3 1.0
CD2 A:PF5249 1.4 62.9 1.0
CE2 A:PF5249 2.3 70.0 1.0
CG A:PF5249 2.4 62.7 1.0
FE2 A:PF5249 2.6 68.2 1.0
CB A:PF5249 3.0 64.5 1.0
CA A:PF5249 3.6 70.6 1.0
CD1 A:PF5249 3.7 59.2 1.0
CZ A:PF5249 3.7 63.2 1.0
O A:PF5249 3.8 69.4 1.0
C A:PF5249 4.0 66.4 1.0
CE1 A:PF5249 4.2 59.3 1.0
FZ A:PF5249 4.8 55.9 1.0
FD1 A:PF5249 4.8 61.9 1.0
N A:PF5249 4.9 69.9 1.0

Fluorine binding site 3 out of 5 in 4s3g

Go back to Fluorine Binding Sites List in 4s3g
Fluorine binding site 3 out of 5 in the Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F249

b:63.1
occ:1.00
 FE1 A:PF5249 0.0 63.1 1.0
CE1 A:PF5249 1.3 59.3 1.0
CD1 A:PF5249 2.4 59.2 1.0
CZ A:PF5249 2.4 63.2 1.0
FD1 A:PF5249 2.6 61.9 1.0
FZ A:PF5249 2.8 55.9 1.0
CE2 A:PF5249 3.7 70.0 1.0
CG A:PF5249 3.7 62.7 1.0
CD2 A:PF5249 4.1 62.9 1.0
N A:ASN250 4.6 67.8 1.0
FE2 A:PF5249 4.8 68.2 1.0
CB A:PF5249 4.9 64.5 1.0
C A:PF5249 5.0 66.4 1.0

Fluorine binding site 4 out of 5 in 4s3g

Go back to Fluorine Binding Sites List in 4s3g
Fluorine binding site 4 out of 5 in the Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F249

b:68.2
occ:1.00
 FE2 A:PF5249 0.0 68.2 1.0
CE2 A:PF5249 1.3 70.0 1.0
CD2 A:PF5249 2.4 62.9 1.0
CZ A:PF5249 2.4 63.2 1.0
FD2 A:PF5249 2.6 69.3 1.0
FZ A:PF5249 2.8 55.9 1.0
CE1 A:PF5249 3.7 59.3 1.0
CG A:PF5249 3.7 62.7 1.0
CD1 A:PF5249 4.1 59.2 1.0
FE1 A:PF5249 4.8 63.1 1.0
O A:PF5249 4.9 69.4 1.0
CB A:PF5249 5.0 64.5 1.0

Fluorine binding site 5 out of 5 in 4s3g

Go back to Fluorine Binding Sites List in 4s3g
Fluorine binding site 5 out of 5 in the Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the F249X Mutant of Phosphatidylinositol-Specific Phospholipase C From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F249

b:55.9
occ:1.00
 FZ A:PF5249 0.0 55.9 1.0
CZ A:PF5249 1.4 63.2 1.0
CE1 A:PF5249 2.4 59.3 1.0
CE2 A:PF5249 2.4 70.0 1.0
FE1 A:PF5249 2.8 63.1 1.0
FE2 A:PF5249 2.8 68.2 1.0
CD1 A:PF5249 3.7 59.2 1.0
CD2 A:PF5249 3.7 62.9 1.0
CG A:PF5249 4.3 62.7 1.0
FD1 A:PF5249 4.7 61.9 1.0
FD2 A:PF5249 4.8 69.3 1.0

Reference:

T.He, A.Gershenson, S.J.Eyles, Y.J.Lee, W.R.Liu, J.Wang, J.Gao, M.F.Roberts. Fluorinated Aromatic Amino Acids Distinguish Cation-Pi Interactions From Membrane Insertion. J.Biol.Chem. V. 290 19334 2015.
ISSN: ISSN 0021-9258
PubMed: 26092728
DOI: 10.1074/JBC.M115.668343
Page generated: Sun Dec 13 12:12:26 2020

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