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Fluorine in PDB 6trx: Crystal Structure of DPP8 in Complex with 1G244

Enzymatic activity of Crystal Structure of DPP8 in Complex with 1G244

All present enzymatic activity of Crystal Structure of DPP8 in Complex with 1G244:
3.4.14.5;

Protein crystallography data

The structure of Crystal Structure of DPP8 in Complex with 1G244, PDB code: 6trx was solved by B.H.Ross, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.38 / 3.20
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 163.963, 246.288, 261.805, 90, 90, 90
R / Rfree (%) 19.7 / 23.8

Other elements in 6trx:

The structure of Crystal Structure of DPP8 in Complex with 1G244 also contains other interesting chemical elements:

Sodium (Na) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of DPP8 in Complex with 1G244 (pdb code 6trx). 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 DPP8 in Complex with 1G244, PDB code: 6trx:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6trx

Go back to Fluorine Binding Sites List in 6trx
Fluorine binding site 1 out of 6 in the Crystal Structure of DPP8 in Complex with 1G244


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 DPP8 in Complex with 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:118.8
occ:1.00
F28 B:9XH1002 0.0 118.8 1.0
C27 B:9XH1002 1.3 118.5 1.0
C29 B:9XH1002 2.4 118.2 1.0
C26 B:9XH1002 2.4 115.9 1.0
C30 B:9XH1002 3.6 118.8 1.0
C25 B:9XH1002 3.7 118.0 1.0
C24 B:9XH1002 4.2 121.0 1.0
CB B:ARG160 4.3 98.9 1.0
O B:HOH1147 4.8 65.4 1.0
O B:ARG160 4.9 101.4 1.0
CD2 B:HIS525 4.9 110.7 1.0
CG B:ARG160 5.0 100.9 1.0

Fluorine binding site 2 out of 6 in 6trx

Go back to Fluorine Binding Sites List in 6trx
Fluorine binding site 2 out of 6 in the Crystal Structure of DPP8 in Complex with 1G244


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 DPP8 in Complex with 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1002

b:121.8
occ:1.00
F35 B:9XH1002 0.0 121.8 1.0
C34 B:9XH1002 1.3 125.4 1.0
C33 B:9XH1002 2.4 126.0 1.0
C36 B:9XH1002 2.4 119.8 1.0
O B:HOH1151 2.9 62.5 1.0
CD2 B:LEU676 3.5 85.2 1.0
OH B:TYR686 3.6 107.3 1.0
C32 B:9XH1002 3.6 127.8 1.0
C37 B:9XH1002 3.7 121.6 1.0
C31 B:9XH1002 4.2 126.1 1.0
CG1 B:VAL674 4.3 77.2 1.0
CD1 B:TYR669 4.4 79.3 1.0
CG B:TYR669 4.5 79.0 1.0
CB B:TYR669 4.5 79.7 1.0
CZ B:TYR686 4.7 105.9 1.0
CG B:LEU676 4.9 83.0 1.0
CE1 B:TYR686 4.9 109.1 1.0

Fluorine binding site 3 out of 6 in 6trx

Go back to Fluorine Binding Sites List in 6trx
Fluorine binding site 3 out of 6 in the Crystal Structure of DPP8 in Complex with 1G244


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 DPP8 in Complex with 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F902

b:123.8
occ:1.00
F28 A:9XH902 0.0 123.8 1.0
C27 A:9XH902 1.4 131.1 1.0
C29 A:9XH902 2.4 128.4 1.0
C26 A:9XH902 2.4 124.6 1.0
C30 A:9XH902 3.7 128.2 1.0
C25 A:9XH902 3.7 121.9 1.0
OH A:TYR686 3.8 112.7 1.0
CD2 A:TYR669 4.0 92.5 1.0
CD2 A:LEU676 4.1 88.3 1.0
C24 A:9XH902 4.2 129.6 1.0
CG A:TYR669 4.6 88.1 1.0
CB A:TYR669 4.6 84.9 1.0
CE2 A:TYR669 4.7 96.3 1.0
CE1 A:TYR686 4.8 114.5 1.0
CZ A:TYR686 4.8 111.9 1.0
CG2 A:VAL674 5.0 99.8 1.0

Fluorine binding site 4 out of 6 in 6trx

Go back to Fluorine Binding Sites List in 6trx
Fluorine binding site 4 out of 6 in the Crystal Structure of DPP8 in Complex with 1G244


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 DPP8 in Complex with 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F902

b:139.0
occ:1.00
F35 A:9XH902 0.0 139.0 1.0
C34 A:9XH902 1.3 138.4 1.0
C36 A:9XH902 2.4 137.8 1.0
C33 A:9XH902 2.4 134.8 1.0
C37 A:9XH902 3.6 138.4 1.0
C32 A:9XH902 3.7 135.3 1.0
CB A:ARG160 4.1 100.9 1.0
C31 A:9XH902 4.2 136.8 1.0
O A:ARG160 4.6 105.1 1.0
CG A:ARG160 4.7 103.7 1.0
O A:LYS159 4.9 99.6 1.0

Fluorine binding site 5 out of 6 in 6trx

Go back to Fluorine Binding Sites List in 6trx
Fluorine binding site 5 out of 6 in the Crystal Structure of DPP8 in Complex with 1G244


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 DPP8 in Complex with 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F902

b:127.5
occ:1.00
F28 C:9XH902 0.0 127.5 1.0
C27 C:9XH902 1.3 129.3 1.0
C29 C:9XH902 2.4 128.7 1.0
C26 C:9XH902 2.4 122.1 1.0
OH C:TYR686 3.5 126.3 1.0
CD2 C:LEU676 3.6 91.5 1.0
C30 C:9XH902 3.7 129.4 1.0
C25 C:9XH902 3.7 121.1 1.0
C24 C:9XH902 4.2 128.4 1.0
CD1 C:TYR669 4.2 82.0 1.0
CG C:TYR669 4.5 80.3 1.0
CB C:TYR669 4.5 77.2 1.0
CZ C:TYR686 4.6 115.7 1.0
CE1 C:TYR686 4.7 112.5 1.0
CE1 C:TYR669 4.9 83.0 1.0
CG C:LEU676 4.9 89.0 1.0

Fluorine binding site 6 out of 6 in 6trx

Go back to Fluorine Binding Sites List in 6trx
Fluorine binding site 6 out of 6 in the Crystal Structure of DPP8 in Complex with 1G244


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 DPP8 in Complex with 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F902

b:148.0
occ:1.00
F35 C:9XH902 0.0 148.0 1.0
C34 C:9XH902 1.4 150.2 1.0
C36 C:9XH902 2.4 146.8 1.0
C33 C:9XH902 2.4 144.8 1.0
C37 C:9XH902 3.7 142.2 1.0
C32 C:9XH902 3.7 138.9 1.0
CB C:ARG160 4.0 94.3 1.0
C31 C:9XH902 4.2 137.5 1.0
O C:ARG160 4.5 94.7 1.0
CG C:ARG160 4.7 97.3 1.0

Reference:

B.H.Ross, R.Huber. The Aerosol-Generator: Direct Soaking of Naked Protein Crystals For Protein-Ligand Complexation To Be Published.
Page generated: Tue Jul 15 16:01:03 2025

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