Fluorine in PDB 7ol3: Human ATL1 N417INS (Catalytic Core)

Protein crystallography data

The structure of Human ATL1 N417INS (Catalytic Core), PDB code: 7ol3 was solved by C.M.Kelly, H.Sondermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.43 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.09, 115.003, 184.008, 90, 90, 90
R / Rfree (%) 17.3 / 22

Other elements in 7ol3:

The structure of Human ATL1 N417INS (Catalytic Core) also contains other interesting chemical elements:

Aluminium (Al) 2 atoms
Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human ATL1 N417INS (Catalytic Core) (pdb code 7ol3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Human ATL1 N417INS (Catalytic Core), PDB code: 7ol3:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 7ol3

Go back to Fluorine Binding Sites List in 7ol3
Fluorine binding site 1 out of 8 in the Human ATL1 N417INS (Catalytic Core)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human ATL1 N417INS (Catalytic Core) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:11.7
occ:1.00
F1 A:ALF502 0.0 11.7 1.0
AL A:ALF502 1.8 15.3 1.0
F3 A:ALF502 2.5 13.5 1.0
F4 A:ALF502 2.6 13.2 1.0
NZ A:LYS80 2.6 10.2 1.0
O3B A:GDP501 2.7 13.9 1.0
O A:HOH618 2.8 11.5 1.0
N A:GLY149 2.9 12.1 1.0
CA A:GLY149 3.0 10.9 1.0
CA A:PHE76 3.1 14.0 1.0
N A:ARG77 3.3 15.7 1.0
CB A:PHE76 3.4 12.8 1.0
O2B A:GDP501 3.5 12.1 1.0
PB A:GDP501 3.5 13.6 1.0
F2 A:ALF502 3.6 13.8 1.0
CE A:LYS80 3.6 12.7 1.0
C A:PHE76 3.8 11.6 1.0
O A:HOH680 3.8 11.5 1.0
O1B A:GDP501 4.0 12.3 1.0
C A:GLN148 4.1 13.0 1.0
N A:PHE76 4.2 9.1 1.0
C A:GLY149 4.2 10.9 1.0
MG A:MG503 4.2 13.1 1.0
O A:ALA75 4.2 10.9 1.0
O A:HOH685 4.4 10.7 1.0
O A:THR147 4.4 13.2 1.0
CA A:ARG77 4.6 13.2 1.0
C A:ALA75 4.6 12.5 1.0
O A:GLY149 4.6 14.6 1.0
CA A:GLN148 4.8 12.5 1.0
CG A:PHE76 4.8 11.8 1.0
O3A A:GDP501 4.9 11.4 1.0
CD A:LYS80 4.9 13.1 1.0
O A:PHE76 5.0 10.0 1.0
NE A:ARG77 5.0 14.0 1.0

Fluorine binding site 2 out of 8 in 7ol3

Go back to Fluorine Binding Sites List in 7ol3
Fluorine binding site 2 out of 8 in the Human ATL1 N417INS (Catalytic Core)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human ATL1 N417INS (Catalytic Core) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:13.8
occ:1.00
F2 A:ALF502 0.0 13.8 1.0
AL A:ALF502 1.8 15.3 1.0
F4 A:ALF502 2.5 13.2 1.0
F3 A:ALF502 2.5 13.5 1.0
N A:GLU119 2.6 14.7 1.0
O A:HOH618 2.7 11.5 1.0
O3B A:GDP501 2.7 13.9 1.0
NH2 A:ARG77 2.8 14.8 1.0
N A:THR120 3.0 13.6 1.0
CA A:GLU119 3.2 15.2 1.0
CB A:GLU119 3.2 16.4 1.0
O A:HOH741 3.3 13.2 1.0
NE A:ARG77 3.5 14.0 1.0
C A:GLU119 3.5 15.2 1.0
F1 A:ALF502 3.6 11.7 1.0
CZ A:ARG77 3.6 14.6 1.0
MG A:MG503 3.6 13.1 1.0
C A:ARG118 3.6 16.7 1.0
CA A:ARG118 3.8 16.7 1.0
PB A:GDP501 3.9 13.6 1.0
OG1 A:THR120 4.0 15.5 1.0
O1B A:GDP501 4.0 12.3 1.0
CA A:THR120 4.0 12.4 1.0
CB A:THR120 4.2 14.4 1.0
O A:THR120 4.2 16.5 1.0
CB A:ARG118 4.3 13.9 1.0
CG A:GLU119 4.4 17.7 1.0
O2A A:GDP501 4.4 11.4 1.0
O A:GLU119 4.6 17.3 1.0
C A:THR120 4.6 16.5 1.0
O3A A:GDP501 4.7 11.4 1.0
O A:ARG118 4.8 15.8 1.0
CD A:ARG77 4.8 14.9 1.0
N A:ARG77 4.8 15.7 1.0
NH1 A:ARG77 4.8 15.4 1.0
O A:HOH680 5.0 11.5 1.0

Fluorine binding site 3 out of 8 in 7ol3

Go back to Fluorine Binding Sites List in 7ol3
Fluorine binding site 3 out of 8 in the Human ATL1 N417INS (Catalytic Core)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human ATL1 N417INS (Catalytic Core) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:13.5
occ:1.00
F3 A:ALF502 0.0 13.5 1.0
AL A:ALF502 1.8 15.3 1.0
MG A:MG503 2.0 13.1 1.0
F1 A:ALF502 2.5 11.7 1.0
F2 A:ALF502 2.5 13.8 1.0
O A:HOH618 2.7 11.5 1.0
O3B A:GDP501 2.7 13.9 1.0
O1B A:GDP501 2.8 12.3 1.0
O A:HOH685 2.8 10.7 1.0
OG1 A:THR120 2.9 15.5 1.0
CB A:THR120 2.9 14.4 1.0
PB A:GDP501 3.3 13.6 1.0
O A:HOH741 3.3 13.2 1.0
N A:THR120 3.5 13.6 1.0
F4 A:ALF502 3.6 13.2 1.0
O A:THR147 3.7 13.2 1.0
CA A:THR120 3.7 12.4 1.0
N A:GLY149 4.0 12.1 1.0
O2B A:GDP501 4.0 12.1 1.0
NZ A:LYS80 4.0 10.2 1.0
O A:THR120 4.1 16.5 1.0
OG A:SER81 4.1 10.2 1.0
CG2 A:THR120 4.2 13.2 1.0
C A:THR120 4.3 16.5 1.0
CE A:LYS80 4.4 12.7 1.0
CA A:GLN148 4.6 12.5 1.0
O3A A:GDP501 4.7 11.4 1.0
C A:GLU119 4.7 15.2 1.0
NH2 A:ARG77 4.7 14.8 1.0
C A:THR147 4.7 12.9 1.0
C A:GLN148 4.8 13.0 1.0
N A:GLU119 4.8 14.7 1.0
CA A:GLY149 4.8 10.9 1.0

Fluorine binding site 4 out of 8 in 7ol3

Go back to Fluorine Binding Sites List in 7ol3
Fluorine binding site 4 out of 8 in the Human ATL1 N417INS (Catalytic Core)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human ATL1 N417INS (Catalytic Core) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:13.2
occ:1.00
F4 A:ALF502 0.0 13.2 1.0
AL A:ALF502 1.8 15.3 1.0
F2 A:ALF502 2.5 13.8 1.0
F1 A:ALF502 2.6 11.7 1.0
O3B A:GDP501 2.7 13.9 1.0
NE A:ARG77 2.7 14.0 1.0
N A:ARG77 2.8 15.7 1.0
O A:HOH618 2.9 11.5 1.0
CB A:PHE76 3.2 12.8 1.0
CD A:ARG77 3.5 14.9 1.0
CA A:ARG118 3.5 16.7 1.0
CA A:ARG77 3.5 13.2 1.0
CA A:PHE76 3.6 14.0 1.0
C A:PHE76 3.6 11.6 1.0
F3 A:ALF502 3.6 13.5 1.0
CD2 A:PHE76 3.6 15.0 1.0
CZ A:ARG77 3.6 14.6 1.0
NH2 A:ARG77 3.7 14.8 1.0
CB A:ARG118 3.7 13.9 1.0
O A:HOH680 3.8 11.5 1.0
CG A:PHE76 3.8 11.8 1.0
N A:GLU119 3.9 14.7 1.0
PB A:GDP501 4.1 13.6 1.0
CB A:ARG77 4.1 13.6 1.0
C A:ARG118 4.3 16.7 1.0
CG A:ARG77 4.4 15.1 1.0
N A:ARG118 4.5 17.0 1.0
O2B A:GDP501 4.6 12.1 1.0
O A:PHE76 4.7 10.0 1.0
CE2 A:PHE76 4.8 17.1 1.0
N A:GLY149 4.9 12.1 1.0
NZ A:LYS80 4.9 10.2 1.0
NH1 A:ARG77 4.9 15.4 1.0
C A:ARG77 4.9 14.1 1.0
O3A A:GDP501 4.9 11.4 1.0
O1B A:GDP501 5.0 12.3 1.0
CA A:GLY149 5.0 10.9 1.0
N A:PHE76 5.0 9.1 1.0

Fluorine binding site 5 out of 8 in 7ol3

Go back to Fluorine Binding Sites List in 7ol3
Fluorine binding site 5 out of 8 in the Human ATL1 N417INS (Catalytic Core)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human ATL1 N417INS (Catalytic Core) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:16.2
occ:1.00
F1 B:ALF502 0.0 16.2 1.0
AL B:ALF502 1.8 14.2 1.0
F4 B:ALF502 2.5 15.6 1.0
F3 B:ALF502 2.6 14.3 1.0
NZ B:LYS80 2.6 11.1 1.0
O B:HOH693 2.7 14.7 1.0
O3B B:GDP501 2.7 14.4 1.0
N B:GLY149 3.0 15.2 1.0
CA B:GLY149 3.0 12.8 1.0
CA B:PHE76 3.2 14.2 1.0
N B:ARG77 3.3 13.9 1.0
O1B B:GDP501 3.4 13.7 1.0
CB B:PHE76 3.4 11.2 1.0
PB B:GDP501 3.4 14.8 1.0
CE B:LYS80 3.4 11.7 1.0
F2 B:ALF502 3.6 15.8 1.0
C B:PHE76 3.8 12.6 1.0
O B:HOH706 3.9 11.1 1.0
O2B B:GDP501 4.0 14.4 1.0
MG B:MG503 4.2 15.8 1.0
C B:GLN148 4.2 14.6 1.0
C B:GLY149 4.3 14.8 1.0
N B:PHE76 4.3 12.0 1.0
O B:HOH690 4.3 14.6 1.0
O B:ALA75 4.3 11.7 1.0
O B:THR147 4.4 14.1 1.0
CA B:ARG77 4.5 12.8 1.0
CG B:PHE76 4.7 11.9 1.0
C B:ALA75 4.7 13.9 1.0
O B:GLY149 4.7 13.7 1.0
CA B:GLN148 4.8 15.3 1.0
O3A B:GDP501 4.9 16.0 1.0
CD B:LYS80 4.9 10.7 1.0

Fluorine binding site 6 out of 8 in 7ol3

Go back to Fluorine Binding Sites List in 7ol3
Fluorine binding site 6 out of 8 in the Human ATL1 N417INS (Catalytic Core)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human ATL1 N417INS (Catalytic Core) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:15.8
occ:1.00
F2 B:ALF502 0.0 15.8 1.0
AL B:ALF502 1.8 14.2 1.0
F4 B:ALF502 2.5 15.6 1.0
N B:GLU119 2.5 15.8 1.0
F3 B:ALF502 2.5 14.3 1.0
O3B B:GDP501 2.7 14.4 1.0
O B:HOH693 2.8 14.7 1.0
NH2 B:ARG77 2.9 11.6 1.0
N B:THR120 2.9 15.2 1.0
O B:HOH719 3.1 12.4 1.0
CB B:GLU119 3.1 15.0 1.0
CA B:GLU119 3.1 17.9 1.0
C B:GLU119 3.4 18.5 1.0
MG B:MG503 3.5 15.8 1.0
NE B:ARG77 3.6 11.8 1.0
F1 B:ALF502 3.6 16.2 1.0
C B:ARG118 3.6 17.7 1.0
CZ B:ARG77 3.6 14.9 1.0
PB B:GDP501 3.9 14.8 1.0
CA B:ARG118 3.9 16.1 1.0
OG1 B:THR120 4.0 14.2 1.0
CA B:THR120 4.0 16.6 1.0
O2B B:GDP501 4.0 14.4 1.0
CB B:THR120 4.2 13.5 1.0
CG B:GLU119 4.3 18.2 1.0
O B:THR120 4.4 14.7 1.0
O1A B:GDP501 4.4 13.7 1.0
CB B:ARG118 4.4 16.3 1.0
O B:GLU119 4.6 16.6 1.0
O3A B:GDP501 4.7 16.0 1.0
C B:THR120 4.7 14.8 1.0
O B:ARG118 4.7 14.2 1.0
CD B:ARG77 4.9 15.1 1.0
NH1 B:ARG77 4.9 13.4 1.0
N B:ARG77 4.9 13.9 1.0

Fluorine binding site 7 out of 8 in 7ol3

Go back to Fluorine Binding Sites List in 7ol3
Fluorine binding site 7 out of 8 in the Human ATL1 N417INS (Catalytic Core)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Human ATL1 N417INS (Catalytic Core) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:14.3
occ:1.00
F3 B:ALF502 0.0 14.3 1.0
AL B:ALF502 1.8 14.2 1.0
F2 B:ALF502 2.5 15.8 1.0
F1 B:ALF502 2.6 16.2 1.0
O3B B:GDP501 2.6 14.4 1.0
NE B:ARG77 2.7 11.8 1.0
O B:HOH693 2.8 14.7 1.0
N B:ARG77 2.8 13.9 1.0
CB B:PHE76 3.3 11.2 1.0
CA B:ARG118 3.4 16.1 1.0
CD B:ARG77 3.5 15.1 1.0
CD2 B:PHE76 3.5 12.7 1.0
CA B:ARG77 3.5 12.8 1.0
F4 B:ALF502 3.6 15.6 1.0
CZ B:ARG77 3.6 14.9 1.0
NH2 B:ARG77 3.6 11.6 1.0
C B:PHE76 3.7 12.6 1.0
CB B:ARG118 3.7 16.3 1.0
CA B:PHE76 3.7 14.2 1.0
N B:GLU119 3.8 15.8 1.0
CG B:PHE76 3.9 11.9 1.0
O B:HOH706 3.9 11.1 1.0
PB B:GDP501 4.1 14.8 1.0
CB B:ARG77 4.1 13.6 1.0
C B:ARG118 4.2 17.7 1.0
CG B:ARG77 4.4 19.0 1.0
N B:ARG118 4.4 17.5 1.0
O1B B:GDP501 4.6 13.7 1.0
CE2 B:PHE76 4.7 15.6 1.0
O B:PHE76 4.8 14.1 1.0
O B:GLU117 4.9 16.4 1.0
NZ B:LYS80 4.9 11.1 1.0
NH1 B:ARG77 4.9 13.4 1.0
O3A B:GDP501 4.9 16.0 1.0
C B:ARG77 4.9 15.2 1.0
N B:GLY149 4.9 15.2 1.0
O2B B:GDP501 4.9 14.4 1.0
N B:THR120 5.0 15.2 1.0
CA B:GLU119 5.0 17.9 1.0
C B:GLU117 5.0 18.2 1.0
CA B:GLY149 5.0 12.8 1.0

Fluorine binding site 8 out of 8 in 7ol3

Go back to Fluorine Binding Sites List in 7ol3
Fluorine binding site 8 out of 8 in the Human ATL1 N417INS (Catalytic Core)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Human ATL1 N417INS (Catalytic Core) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:15.6
occ:1.00
F4 B:ALF502 0.0 15.6 1.0
AL B:ALF502 1.8 14.2 1.0
MG B:MG503 2.0 15.8 1.0
F1 B:ALF502 2.5 16.2 1.0
F2 B:ALF502 2.5 15.8 1.0
O B:HOH693 2.7 14.7 1.0
O3B B:GDP501 2.7 14.4 1.0
O B:HOH690 2.8 14.6 1.0
OG1 B:THR120 2.8 14.2 1.0
O2B B:GDP501 2.8 14.4 1.0
CB B:THR120 3.0 13.5 1.0
PB B:GDP501 3.2 14.8 1.0
O B:HOH719 3.2 12.4 1.0
N B:THR120 3.4 15.2 1.0
F3 B:ALF502 3.6 14.3 1.0
O B:THR147 3.7 14.1 1.0
CA B:THR120 3.7 16.6 1.0
OG B:SER81 3.9 13.0 1.0
O1B B:GDP501 4.0 13.7 1.0
N B:GLY149 4.0 15.2 1.0
NZ B:LYS80 4.1 11.1 1.0
O B:THR120 4.2 14.7 1.0
CG2 B:THR120 4.2 14.8 1.0
CE B:LYS80 4.3 11.7 1.0
C B:THR120 4.4 14.8 1.0
C B:GLU119 4.6 18.5 1.0
O3A B:GDP501 4.6 16.0 1.0
CA B:GLN148 4.7 15.3 1.0
N B:GLU119 4.7 15.8 1.0
NH2 B:ARG77 4.7 11.6 1.0
C B:THR147 4.8 15.6 1.0
C B:GLN148 4.8 14.6 1.0
CA B:GLY149 4.9 12.8 1.0

Reference:

C.M.Kelly, P.J.Zeiger, V.Narayanan, K.Ramsey, H.Sondermann. Human ATL1 N417INS (Catalytic Core) To Be Published.
Page generated: Sat Aug 21 13:51:54 2021

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