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Fluorine in PDB 2i0u: Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel

Enzymatic activity of Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel

All present enzymatic activity of Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel:
3.1.1.4;

Protein crystallography data

The structure of Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel, PDB code: 2i0u was solved by W.Gao, R.C.Bi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.00 / 2.20
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 76.284, 76.284, 304.395, 90.00, 90.00, 120.00
R / Rfree (%) 20.9 / 23.6

Other elements in 2i0u:

The structure of Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel (pdb code 2i0u). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel, PDB code: 2i0u:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2i0u

Go back to Fluorine Binding Sites List in 2i0u
Fluorine binding site 1 out of 3 in the Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1200

b:47.6
occ:1.00
F1 A:TFA1200 0.0 47.6 1.0
C2 A:TFA1200 1.3 45.2 1.0
F2 A:TFA1200 2.1 46.5 1.0
F3 A:TFA1200 2.1 47.8 1.0
C1 A:TFA1200 2.4 43.7 1.0
OXT A:TFA1200 2.9 43.1 1.0
O A:HOH2175 3.0 66.2 1.0
CZ2 A:TRP20 3.1 43.6 1.0
O A:TFA1200 3.4 39.7 1.0
C4 A:TRT2123 3.4 69.8 1.0
C3 A:TRT2123 3.5 69.2 1.0
NE1 A:TRP20 3.6 42.0 1.0
CE2 A:TRP20 3.7 42.0 1.0
C1 A:TRT2123 4.1 68.7 1.0
CH2 A:TRP20 4.3 43.5 1.0
C2 A:TRT2123 4.5 68.4 1.0
NE1 E:TRP20 4.9 32.9 1.0
CZ2 E:TRP20 4.9 34.7 1.0
CE2 E:PHE17 4.9 36.5 1.0
CD1 A:TRP20 5.0 41.3 1.0
O A:HOH2151 5.0 68.6 1.0

Fluorine binding site 2 out of 3 in 2i0u

Go back to Fluorine Binding Sites List in 2i0u
Fluorine binding site 2 out of 3 in the Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1200

b:46.5
occ:1.00
F2 A:TFA1200 0.0 46.5 1.0
C2 A:TFA1200 1.3 45.2 1.0
F1 A:TFA1200 2.1 47.6 1.0
F3 A:TFA1200 2.1 47.8 1.0
C1 A:TFA1200 2.3 43.7 1.0
O A:TFA1200 2.6 39.7 1.0
O A:HOH2175 2.9 66.2 1.0
CZ2 E:TRP20 3.0 34.7 1.0
NE1 E:TRP20 3.2 32.9 1.0
OXT A:TFA1200 3.4 43.1 1.0
CE2 E:TRP20 3.4 33.8 1.0
C3 E:TRT1123 3.9 53.6 1.0
C4 E:TRT1123 4.0 52.7 1.0
CH2 E:TRP20 4.2 36.0 1.0
C1 E:TRT1123 4.5 52.0 1.0
CD1 E:TRP20 4.6 32.3 1.0
O A:HOH2149 4.7 50.4 1.0
CD2 E:TRP20 4.8 32.6 1.0
C2 E:TRT1123 4.8 52.7 1.0
CZ2 A:TRP20 4.9 43.6 1.0
C4 A:TRT2123 4.9 69.8 1.0

Fluorine binding site 3 out of 3 in 2i0u

Go back to Fluorine Binding Sites List in 2i0u
Fluorine binding site 3 out of 3 in the Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1200

b:47.8
occ:1.00
F3 A:TFA1200 0.0 47.8 1.0
C2 A:TFA1200 1.4 45.2 1.0
F1 A:TFA1200 2.1 47.6 1.0
F2 A:TFA1200 2.1 46.5 1.0
C1 A:TFA1200 2.5 43.7 1.0
OXT A:TFA1200 3.0 43.1 1.0
O A:HOH2151 3.2 68.6 1.0
CZ2 A:TRP20 3.4 43.6 1.0
O A:TFA1200 3.5 39.7 1.0
NE1 A:TRP20 3.6 42.0 1.0
C4 E:TRT1123 3.6 52.7 1.0
CE2 A:TRP20 3.7 42.0 1.0
C3 E:TRT1123 4.1 53.6 1.0
CH2 A:TRP20 4.5 43.5 1.0
C1 E:TRT1123 4.5 52.0 1.0
O A:HOH2175 4.6 66.2 1.0
CE2 A:PHE17 4.6 33.0 1.0
CD1 A:TRP20 4.7 41.3 1.0
CZ2 E:TRP20 4.8 34.7 1.0
CD2 A:PHE17 4.8 30.7 1.0
CD2 A:TRP20 5.0 41.4 1.0

Reference:

W.Gao, R.C.Bi. Crystal Structures of Phospholipases A2 From Vipera Nikolskii Venom Revealing Triton X-100 Bound in Hydrophobic Channel To Be Published.
Page generated: Wed Jul 31 14:48:36 2024

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