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Fluorine in PDB 5lx5: Crystal Structure of Visfatin in Complex with SAR154782-Rp.

Enzymatic activity of Crystal Structure of Visfatin in Complex with SAR154782-Rp.

All present enzymatic activity of Crystal Structure of Visfatin in Complex with SAR154782-Rp.:
2.4.2.12;

Protein crystallography data

The structure of Crystal Structure of Visfatin in Complex with SAR154782-Rp., PDB code: 5lx5 was solved by T.Bertrand, J.P.Marquette, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.51 / 1.88
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.710, 106.690, 83.460, 90.00, 96.76, 90.00
R / Rfree (%) 16.3 / 19.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Visfatin in Complex with SAR154782-Rp. (pdb code 5lx5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Visfatin in Complex with SAR154782-Rp., PDB code: 5lx5:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 5lx5

Go back to Fluorine Binding Sites List in 5lx5
Fluorine binding site 1 out of 4 in the Crystal Structure of Visfatin in Complex with SAR154782-Rp.


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 Visfatin in Complex with SAR154782-Rp. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:15.5
occ:0.80
F39 A:7A0501 0.0 15.5 0.8
F39 A:7A0501 0.3 16.1 0.2
C13 A:7A0501 1.3 15.7 0.2
C13 A:7A0501 1.4 13.2 0.8
C12 A:7A0501 2.3 14.9 0.2
C7 A:7A0501 2.4 15.8 0.2
C7 A:7A0501 2.4 10.2 0.8
C12 A:7A0501 2.4 11.8 0.8
N32 A:7A0501 2.7 10.2 0.8
N32 A:7A0501 2.7 13.0 0.2
CE1 A:HIS191 3.0 12.2 1.0
OG A:SER241 3.2 14.5 1.0
NE2 A:HIS191 3.2 12.9 1.0
O A:HOH831 3.2 9.6 1.0
OD1 A:ASP219 3.5 12.0 1.0
N A:VAL242 3.5 12.4 1.0
ND1 A:HIS191 3.5 12.6 1.0
C4 A:7A0501 3.6 15.4 0.2
C9 A:7A0501 3.6 16.8 0.2
C4 A:7A0501 3.6 10.7 0.8
C9 A:7A0501 3.6 11.5 0.8
CG2 A:VAL242 3.9 15.8 1.0
C18 A:7A0501 3.9 11.3 0.2
CA A:SER241 3.9 9.2 1.0
CD2 A:HIS191 3.9 13.5 1.0
C18 A:7A0501 4.0 10.6 0.8
C1 A:7A0501 4.0 15.9 0.2
CB A:SER241 4.1 10.4 1.0
C1 A:7A0501 4.1 10.5 0.8
CG A:HIS191 4.1 11.6 1.0
C A:SER241 4.2 14.3 1.0
CZ A:PHE193 4.2 5.2 0.2
O A:VAL242 4.2 13.8 1.0
N35 A:7A0501 4.4 9.2 0.2
CA A:VAL242 4.4 12.7 1.0
CE1 A:PHE193 4.5 6.3 0.2
CB A:VAL242 4.5 16.5 1.0
CG A:ASP219 4.6 11.2 1.0
N35 A:7A0501 4.6 12.3 0.8
O A:HOH872 4.6 17.3 1.0
CG1 A:VAL242 4.7 16.6 1.0
O38 A:7A0501 4.8 12.3 0.2
C A:VAL242 4.8 14.8 1.0
C14 A:7A0501 4.8 18.1 0.2
C14 A:7A0501 4.8 14.3 0.8
CE2 A:PHE193 4.9 21.4 0.8
O38 A:7A0501 4.9 11.3 0.8
O A:TYR240 4.9 12.2 1.0
C5 A:7A0501 5.0 16.4 0.8
OD2 A:ASP219 5.0 14.1 1.0
C5 A:7A0501 5.0 18.9 0.2

Fluorine binding site 2 out of 4 in 5lx5

Go back to Fluorine Binding Sites List in 5lx5
Fluorine binding site 2 out of 4 in the Crystal Structure of Visfatin in Complex with SAR154782-Rp.


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 Visfatin in Complex with SAR154782-Rp. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:16.1
occ:0.20
F39 A:7A0501 0.0 16.1 0.2
F39 A:7A0501 0.3 15.5 0.8
C13 A:7A0501 1.3 15.7 0.2
C13 A:7A0501 1.4 13.2 0.8
C12 A:7A0501 2.3 14.9 0.2
C7 A:7A0501 2.4 15.8 0.2
C7 A:7A0501 2.4 10.2 0.8
C12 A:7A0501 2.4 11.8 0.8
N32 A:7A0501 2.7 13.0 0.2
N32 A:7A0501 2.7 10.2 0.8
OG A:SER241 3.1 14.5 1.0
O A:HOH831 3.1 9.6 1.0
CE1 A:HIS191 3.2 12.2 1.0
N A:VAL242 3.2 12.4 1.0
NE2 A:HIS191 3.5 12.9 1.0
CG2 A:VAL242 3.6 15.8 1.0
C4 A:7A0501 3.6 15.4 0.2
C9 A:7A0501 3.6 16.8 0.2
OD1 A:ASP219 3.6 12.0 1.0
C9 A:7A0501 3.6 11.5 0.8
C4 A:7A0501 3.7 10.7 0.8
CA A:SER241 3.8 9.2 1.0
ND1 A:HIS191 3.8 12.6 1.0
C A:SER241 3.9 14.3 1.0
O A:VAL242 3.9 13.8 1.0
CB A:SER241 3.9 10.4 1.0
C18 A:7A0501 4.0 11.3 0.2
C1 A:7A0501 4.1 15.9 0.2
C18 A:7A0501 4.1 10.6 0.8
C1 A:7A0501 4.1 10.5 0.8
CA A:VAL242 4.1 12.7 1.0
CB A:VAL242 4.2 16.5 1.0
CD2 A:HIS191 4.2 13.5 1.0
CG1 A:VAL242 4.4 16.6 1.0
CG A:HIS191 4.4 11.6 1.0
CZ A:PHE193 4.5 5.2 0.2
C A:VAL242 4.5 14.8 1.0
N35 A:7A0501 4.5 9.2 0.2
O A:HOH872 4.6 17.3 1.0
N35 A:7A0501 4.6 12.3 0.8
CG A:ASP219 4.7 11.2 1.0
CE1 A:PHE193 4.7 6.3 0.2
C14 A:7A0501 4.8 18.1 0.2
C14 A:7A0501 4.8 14.3 0.8
O38 A:7A0501 4.9 12.3 0.2
C5 A:7A0501 5.0 16.4 0.8
O A:TYR240 5.0 12.2 1.0
C5 A:7A0501 5.0 18.9 0.2
O38 A:7A0501 5.0 11.3 0.8

Fluorine binding site 3 out of 4 in 5lx5

Go back to Fluorine Binding Sites List in 5lx5
Fluorine binding site 3 out of 4 in the Crystal Structure of Visfatin in Complex with SAR154782-Rp.


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 Visfatin in Complex with SAR154782-Rp. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:14.7
occ:0.80
F39 B:7A0501 0.0 14.7 0.8
F39 B:7A0501 0.3 14.7 0.2
C13 B:7A0501 1.3 14.8 0.2
C13 B:7A0501 1.3 15.6 0.8
C12 B:7A0501 2.3 14.1 0.2
C7 B:7A0501 2.3 15.0 0.8
C7 B:7A0501 2.3 14.8 0.2
C12 B:7A0501 2.4 12.2 0.8
N32 B:7A0501 2.7 10.1 0.8
N32 B:7A0501 2.7 13.4 0.2
CE1 B:HIS191 3.0 13.5 1.0
OG B:SER241 3.2 14.8 1.0
NE2 B:HIS191 3.2 13.9 1.0
O B:HOH767 3.3 15.4 1.0
N B:VAL242 3.5 13.3 1.0
C4 B:7A0501 3.6 14.2 0.2
ND1 B:HIS191 3.6 14.3 1.0
C9 B:7A0501 3.6 15.4 0.2
C4 B:7A0501 3.6 12.3 0.8
C9 B:7A0501 3.6 15.7 0.8
OD1 B:ASP219 3.6 14.4 1.0
CA B:SER241 3.9 13.6 1.0
C18 B:7A0501 3.9 13.6 0.2
CD2 B:HIS191 3.9 14.8 1.0
CG2 B:VAL242 4.0 17.9 1.0
C18 B:7A0501 4.0 11.5 0.8
C1 B:7A0501 4.0 14.5 0.2
CB B:SER241 4.0 15.7 1.0
C1 B:7A0501 4.1 12.8 0.8
CG B:HIS191 4.1 13.7 1.0
C B:SER241 4.2 17.0 1.0
O B:VAL242 4.2 15.1 1.0
CZ B:PHE193 4.4 10.3 0.2
CA B:VAL242 4.4 12.8 1.0
N35 B:7A0501 4.4 12.5 0.2
O B:HOH840 4.5 19.8 1.0
CB B:VAL242 4.5 17.7 1.0
CE1 B:PHE193 4.5 11.5 0.2
N35 B:7A0501 4.6 9.8 0.8
CG1 B:VAL242 4.6 17.8 1.0
CG B:ASP219 4.6 13.7 1.0
C B:VAL242 4.8 15.9 1.0
O38 B:7A0501 4.8 13.7 0.2
C14 B:7A0501 4.8 16.2 0.2
C14 B:7A0501 4.8 18.7 0.8
CE2 B:PHE193 4.9 20.9 0.8
O38 B:7A0501 4.9 12.0 0.8
O B:TYR240 4.9 15.3 1.0
C5 B:7A0501 5.0 20.9 0.8
C5 B:7A0501 5.0 16.8 0.2

Fluorine binding site 4 out of 4 in 5lx5

Go back to Fluorine Binding Sites List in 5lx5
Fluorine binding site 4 out of 4 in the Crystal Structure of Visfatin in Complex with SAR154782-Rp.


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 Visfatin in Complex with SAR154782-Rp. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:14.7
occ:0.20
F39 B:7A0501 0.0 14.7 0.2
F39 B:7A0501 0.3 14.7 0.8
C13 B:7A0501 1.3 14.8 0.2
C13 B:7A0501 1.4 15.6 0.8
C12 B:7A0501 2.3 14.1 0.2
C7 B:7A0501 2.3 14.8 0.2
C7 B:7A0501 2.4 15.0 0.8
C12 B:7A0501 2.4 12.2 0.8
N32 B:7A0501 2.7 13.4 0.2
N32 B:7A0501 2.7 10.1 0.8
OG B:SER241 3.0 14.8 1.0
N B:VAL242 3.2 13.3 1.0
O B:HOH767 3.2 15.4 1.0
CE1 B:HIS191 3.3 13.5 1.0
NE2 B:HIS191 3.5 13.9 1.0
C4 B:7A0501 3.6 14.2 0.2
C9 B:7A0501 3.6 15.4 0.2
C9 B:7A0501 3.6 15.7 0.8
C4 B:7A0501 3.6 12.3 0.8
CG2 B:VAL242 3.7 17.9 1.0
OD1 B:ASP219 3.7 14.4 1.0
CA B:SER241 3.8 13.6 1.0
ND1 B:HIS191 3.9 14.3 1.0
O B:VAL242 3.9 15.1 1.0
C B:SER241 3.9 17.0 1.0
CB B:SER241 3.9 15.7 1.0
C18 B:7A0501 4.0 13.6 0.2
C1 B:7A0501 4.1 14.5 0.2
CA B:VAL242 4.1 12.8 1.0
C18 B:7A0501 4.1 11.5 0.8
C1 B:7A0501 4.1 12.8 0.8
CB B:VAL242 4.2 17.7 1.0
CD2 B:HIS191 4.2 14.8 1.0
CG1 B:VAL242 4.3 17.8 1.0
C B:VAL242 4.4 15.9 1.0
CG B:HIS191 4.4 13.7 1.0
N35 B:7A0501 4.5 12.5 0.2
O B:HOH840 4.5 19.8 1.0
N35 B:7A0501 4.7 9.8 0.8
CZ B:PHE193 4.7 10.3 0.2
CG B:ASP219 4.8 13.7 1.0
CE1 B:PHE193 4.8 11.5 0.2
C14 B:7A0501 4.8 16.2 0.2
C14 B:7A0501 4.8 18.7 0.8
O38 B:7A0501 4.9 13.7 0.2
C5 B:7A0501 5.0 20.9 0.8
O B:TYR240 5.0 15.3 1.0
C5 B:7A0501 5.0 16.8 0.2
O38 B:7A0501 5.0 12.0 0.8

Reference:

T.Bertrand, J.P.Marquette. Crystal Structure of Visfatin in Complex with SAR154782-Rp To Be Published.
Page generated: Thu Aug 1 11:33:03 2024

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