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Fluorine in PDB 4j6a: Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set

Enzymatic activity of Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set

All present enzymatic activity of Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set:
3.1.27.5;

Protein crystallography data

The structure of Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set, PDB code: 4j6a was solved by B.M.Kearney, M.Dechene, P.D.Swartz, C.Mattos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.71 / 2.04
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 63.579, 63.579, 63.903, 90.00, 90.00, 120.00
R / Rfree (%) 16.9 / 20.4

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set (pdb code 4j6a). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set, PDB code: 4j6a:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 4j6a

Go back to Fluorine Binding Sites List in 4j6a
Fluorine binding site 1 out of 6 in the Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set


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 Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:51.3
occ:1.00
 F1 A:ETF202 0.0 51.3 1.0
C1 A:ETF202 1.3 43.7 1.0
F3 A:ETF202 2.2 41.7 1.0
F2 A:ETF202 2.2 52.2 1.0
C2 A:ETF202 2.3 47.2 1.0
O A:ETF202 3.5 45.2 1.0

Fluorine binding site 2 out of 6 in 4j6a

Go back to Fluorine Binding Sites List in 4j6a
Fluorine binding site 2 out of 6 in the Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set


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 Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:52.2
occ:1.00
 F2 A:ETF202 0.0 52.2 1.0
C1 A:ETF202 1.3 43.7 1.0
F3 A:ETF202 2.1 41.7 1.0
F1 A:ETF202 2.2 51.3 1.0
C2 A:ETF202 2.3 47.2 1.0
O A:ETF202 2.7 45.2 1.0
OG A:SER23 3.8 33.1 1.0
CB A:SER23 4.3 31.7 1.0

Fluorine binding site 3 out of 6 in 4j6a

Go back to Fluorine Binding Sites List in 4j6a
Fluorine binding site 3 out of 6 in the Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set


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 Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:41.7
occ:1.00
 F3 A:ETF202 0.0 41.7 1.0
C1 A:ETF202 1.3 43.7 1.0
F2 A:ETF202 2.1 52.2 1.0
F1 A:ETF202 2.2 51.3 1.0
C2 A:ETF202 2.3 47.2 1.0
O A:ETF202 2.8 45.2 1.0
F2 A:ETF205 3.7 48.3 1.0
CB A:SER23 3.9 31.7 1.0
OG A:SER23 4.1 33.1 1.0
N A:SER23 4.3 27.1 1.0
CA A:SER23 4.6 27.0 1.0
C1 A:ETF205 4.8 47.2 1.0
F3 A:ETF205 4.8 45.8 1.0

Fluorine binding site 4 out of 6 in 4j6a

Go back to Fluorine Binding Sites List in 4j6a
Fluorine binding site 4 out of 6 in the Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set


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 Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F205

b:51.6
occ:1.00
 F1 A:ETF205 0.0 51.6 1.0
C1 A:ETF205 1.3 47.2 1.0
F2 A:ETF205 2.2 48.3 1.0
F3 A:ETF205 2.2 45.8 1.0
C2 A:ETF205 2.3 38.4 1.0
O A:SER21 3.4 43.7 1.0
CA A:SER22 3.4 33.5 1.0
N A:SER22 3.4 34.5 1.0
C A:SER21 3.4 38.4 1.0
O A:ETF205 3.5 40.7 1.0
O A:ALA20 3.6 30.7 1.0
C A:SER22 3.8 31.6 1.0
O A:SER22 4.2 24.6 1.0
C A:ALA20 4.3 26.9 1.0
CA A:SER21 4.3 37.1 1.0
N A:SER23 4.3 27.1 1.0
N A:SER21 4.6 33.0 1.0
CB A:SER22 4.8 30.8 1.0
C2 A:ETF202 4.8 47.2 1.0

Fluorine binding site 5 out of 6 in 4j6a

Go back to Fluorine Binding Sites List in 4j6a
Fluorine binding site 5 out of 6 in the Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set


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 Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F205

b:48.3
occ:1.00
 F2 A:ETF205 0.0 48.3 1.0
C1 A:ETF205 1.3 47.2 1.0
F3 A:ETF205 2.2 45.8 1.0
F1 A:ETF205 2.2 51.6 1.0
C2 A:ETF205 2.3 38.4 1.0
O A:ETF205 2.7 40.7 1.0
N A:SER23 3.1 27.1 1.0
C A:SER22 3.1 31.6 1.0
CA A:SER22 3.6 33.5 1.0
O A:SER22 3.6 24.6 1.0
F3 A:ETF202 3.7 41.7 1.0
CA A:SER23 3.7 27.0 1.0
O A:ETF202 3.9 45.2 1.0
C2 A:ETF202 4.0 47.2 1.0
N A:SER22 4.2 34.5 1.0
CB A:SER23 4.3 31.7 1.0
C1 A:ETF202 4.5 43.7 1.0
C A:SER21 4.8 38.4 1.0
O A:SER21 4.9 43.7 1.0
CB A:SER22 4.9 30.8 1.0

Fluorine binding site 6 out of 6 in 4j6a

Go back to Fluorine Binding Sites List in 4j6a
Fluorine binding site 6 out of 6 in the Crystal Structure of Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set


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 Ribonuclease A Soaked in 40% 2,2,2- Trifluoroethanol: One of Twelve in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F205

b:45.8
occ:1.00
 F3 A:ETF205 0.0 45.8 1.0
C1 A:ETF205 1.3 47.2 1.0
F2 A:ETF205 2.2 48.3 1.0
F1 A:ETF205 2.2 51.6 1.0
C2 A:ETF205 2.3 38.4 1.0
O A:ETF205 2.6 40.7 1.0
O A:HOH318 4.3 31.8 1.0
F3 A:ETF202 4.8 41.7 1.0
O A:ALA20 4.9 30.7 1.0

Reference:

B.M.Kearney, D.Roberts, M.Dechene, P.D.Swartz, C.Mattos. Drop: A Program For Analysis of Water Structure on Protein Surfaces To Be Published.
Page generated: Thu Aug 1 02:47:28 2024

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