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

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy