Atomistry » Fluorine » PDB 4qte-4rv6 » 4rv3
Atomistry »
  Fluorine »
    PDB 4qte-4rv6 »
      4rv3 »

Fluorine in PDB 4rv3: Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus

Enzymatic activity of Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus

All present enzymatic activity of Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus:
4.6.1.13;

Protein crystallography data

The structure of Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus, PDB code: 4rv3 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) 49.87 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 59.850, 59.850, 180.410, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 23.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus (pdb code 4rv3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus, PDB code: 4rv3:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in 4rv3

Go back to Fluorine Binding Sites List in 4rv3
Fluorine binding site 1 out of 5 in the Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)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 Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F258

b:30.0
occ:1.00
 FD1 A:PF5258 0.0 30.0 1.0
CD1 A:PF5258 1.3 26.9 1.0
CE1 A:PF5258 2.4 29.3 1.0
CG A:PF5258 2.4 28.1 1.0
FE1 A:PF5258 2.7 34.9 1.0
CB A:PF5258 2.8 28.9 1.0
O A:ASN254 3.1 21.6 1.0
CA A:TYR255 3.6 24.5 1.0
O A:TYR255 3.6 26.2 1.0
CD2 A:PF5258 3.6 31.1 1.0
CZ A:PF5258 3.7 33.3 1.0
CE1 A:TYR212 3.7 32.5 1.0
C A:ASN254 3.8 21.6 1.0
CA A:PF5258 3.9 27.2 1.0
N A:PF5258 3.9 24.8 1.0
C A:TYR255 4.0 25.8 1.0
CD1 A:TYR212 4.0 30.8 1.0
N A:TYR255 4.1 23.4 1.0
CE2 A:PF5258 4.1 33.0 1.0
CZ A:TYR212 4.6 34.7 1.0
OG A:SER257 4.7 23.6 1.0
FZ A:PF5258 4.8 40.2 1.0
FD2 A:PF5258 4.8 29.6 1.0
CB A:TYR255 4.8 20.7 1.0
N A:ILE259 4.8 25.4 1.0
C A:PF5258 4.8 27.5 1.0
OH A:TYR212 4.9 33.3 1.0
CG A:TYR255 4.9 28.3 1.0
CD1 A:TYR255 5.0 28.0 1.0

Fluorine binding site 2 out of 5 in 4rv3

Go back to Fluorine Binding Sites List in 4rv3
Fluorine binding site 2 out of 5 in the Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)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 Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F258

b:29.6
occ:1.00
 FD2 A:PF5258 0.0 29.6 1.0
CD2 A:PF5258 1.4 31.1 1.0
CG A:PF5258 2.4 28.1 1.0
CE2 A:PF5258 2.4 33.0 1.0
FE2 A:PF5258 2.8 35.8 1.0
CB A:PF5258 2.9 28.9 1.0
CA A:PF5258 3.0 27.2 1.0
O A:SER257 3.2 27.0 1.0
N A:PF5258 3.6 24.8 1.0
C A:SER257 3.6 29.0 1.0
CD1 A:PF5258 3.6 26.9 1.0
CZ A:PF5258 3.7 33.3 1.0
O A:HOH578 3.8 26.9 1.0
CE1 A:PF5258 4.2 29.3 1.0
C A:PF5258 4.3 27.5 1.0
OG A:SER257 4.4 23.6 1.0
O A:PF5258 4.6 22.9 1.0
FD1 A:PF5258 4.8 30.0 1.0
FZ A:PF5258 4.8 40.2 1.0
CA A:SER257 4.9 25.3 1.0
CB A:SER257 5.0 25.0 1.0

Fluorine binding site 3 out of 5 in 4rv3

Go back to Fluorine Binding Sites List in 4rv3
Fluorine binding site 3 out of 5 in the Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)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 Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F258

b:34.9
occ:1.00
 FE1 A:PF5258 0.0 34.9 1.0
CE1 A:PF5258 1.3 29.3 1.0
CZ A:PF5258 2.4 33.3 1.0
CD1 A:PF5258 2.4 26.9 1.0
FD1 A:PF5258 2.7 30.0 1.0
FZ A:PF5258 2.7 40.2 1.0
O A:ASN254 3.3 21.6 1.0
CE2 A:PF5258 3.7 33.0 1.0
CG A:PF5258 3.7 28.1 1.0
C A:ASN254 3.7 21.6 1.0
CB A:ASN254 3.7 24.9 1.0
CD2 A:PF5258 4.1 31.1 1.0
CA A:ASN254 4.2 28.6 1.0
CZ A:PHE249 4.3 42.0 1.0
N A:TYR255 4.4 23.4 1.0
OG A:SER257 4.5 23.6 1.0
O A:PHE249 4.6 47.1 1.0
CE2 A:PHE249 4.6 40.7 1.0
CE1 A:PHE249 4.7 42.5 1.0
CG A:ASN254 4.7 30.3 1.0
O A:HOH603 4.7 36.0 1.0
FE2 A:PF5258 4.8 35.8 1.0
CA A:TYR255 4.8 24.5 1.0
ND2 A:ASN254 4.8 33.7 1.0
CB A:PF5258 4.9 28.9 1.0

Fluorine binding site 4 out of 5 in 4rv3

Go back to Fluorine Binding Sites List in 4rv3
Fluorine binding site 4 out of 5 in the Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)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 Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F258

b:35.8
occ:1.00
 FE2 A:PF5258 0.0 35.8 1.0
CE2 A:PF5258 1.4 33.0 1.0
CZ A:PF5258 2.4 33.3 1.0
CD2 A:PF5258 2.4 31.1 1.0
FZ A:PF5258 2.8 40.2 1.0
FD2 A:PF5258 2.8 29.6 1.0
CE1 A:PF5258 3.7 29.3 1.0
CG A:PF5258 3.7 28.1 1.0
O A:HOH603 3.9 36.0 1.0
OG A:SER257 4.2 23.6 1.0
CD1 A:PF5258 4.2 26.9 1.0
FE1 A:PF5258 4.8 34.9 1.0
O A:SER257 4.8 27.0 1.0
CB A:PF5258 5.0 28.9 1.0

Fluorine binding site 5 out of 5 in 4rv3

Go back to Fluorine Binding Sites List in 4rv3
Fluorine binding site 5 out of 5 in the Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)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 Crystal Structure of A Pentafluoro-Phe Incorporated Phosphatidylinositol-Specific Phospholipase C (H258X)From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F258

b:40.2
occ:1.00
 FZ A:PF5258 0.0 40.2 1.0
CZ A:PF5258 1.4 33.3 1.0
CE1 A:PF5258 2.4 29.3 1.0
CE2 A:PF5258 2.4 33.0 1.0
FE1 A:PF5258 2.7 34.9 1.0
FE2 A:PF5258 2.8 35.8 1.0
O A:HOH603 3.2 36.0 1.0
CZ A:PHE249 3.3 42.0 1.0
CE1 A:PHE249 3.7 42.5 1.0
CD1 A:PF5258 3.7 26.9 1.0
CD2 A:PF5258 3.7 31.1 1.0
OG A:SER257 4.2 23.6 1.0
CG A:PF5258 4.2 28.1 1.0
CE2 A:PHE249 4.3 40.7 1.0
ND2 A:ASN254 4.6 33.7 1.0
O A:ASN254 4.7 21.6 1.0
FD1 A:PF5258 4.8 30.0 1.0
FD2 A:PF5258 4.8 29.6 1.0
CD1 A:PHE249 4.9 42.1 1.0
CB A:ASN254 4.9 24.9 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: Thu Aug 1 05:37:58 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy