Fluorine in PDB 6eor: DPP9 - 1G244

Enzymatic activity of DPP9 - 1G244

All present enzymatic activity of DPP9 - 1G244:
3.4.14.5;

Protein crystallography data

The structure of DPP9 - 1G244, PDB code: 6eor was solved by B.R.Ross, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.52 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 119.357, 117.212, 163.396, 90.00, 105.57, 90.00
R / Rfree (%) 26.5 / 33.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the DPP9 - 1G244 (pdb code 6eor). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the DPP9 - 1G244, PDB code: 6eor:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 6eor

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Fluorine binding site 1 out of 8 in the DPP9 - 1G244


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of DPP9 - 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:80.8
occ:1.00
 F28 A:9XH901 0.0 80.8 1.0
C27 A:9XH901 1.3 84.1 1.0
C26 A:9XH901 2.4 83.6 1.0
C29 A:9XH901 2.4 86.9 1.0
O A:HOH1056 3.0 19.5 1.0
C25 A:9XH901 3.6 86.7 1.0
C30 A:9XH901 3.6 89.7 1.0
CD A:LYS660 4.1 58.4 1.0
C24 A:9XH901 4.2 89.3 1.0
NZ A:LYS660 4.5 60.9 1.0
CE A:LYS660 4.7 60.2 1.0
O A:HOH1036 4.8 15.7 1.0
CB A:ARG133 5.0 50.7 1.0

Fluorine binding site 2 out of 8 in 6eor

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Fluorine binding site 2 out of 8 in the DPP9 - 1G244


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of DPP9 - 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:86.5
occ:1.00
 F35 A:9XH901 0.0 86.5 1.0
C34 A:9XH901 1.3 92.6 1.0
C33 A:9XH901 2.4 93.3 1.0
C36 A:9XH901 2.4 93.1 1.0
C32 A:9XH901 3.6 93.6 1.0
C37 A:9XH901 3.6 92.2 1.0
C31 A:9XH901 4.1 91.4 1.0
CB A:HIS500 4.2 51.1 1.0
O A:HOH1036 4.3 15.7 1.0
CG A:HIS500 4.6 56.8 1.0
ND1 A:HIS500 4.9 58.6 1.0

Fluorine binding site 3 out of 8 in 6eor

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Fluorine binding site 3 out of 8 in the DPP9 - 1G244


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of DPP9 - 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F901

b:71.6
occ:1.00
 F28 B:9XH901 0.0 71.6 1.0
C27 B:9XH901 1.3 77.1 1.0
C26 B:9XH901 2.4 77.5 1.0
C29 B:9XH901 2.4 79.4 1.0
C25 B:9XH901 3.6 79.5 1.0
C30 B:9XH901 3.6 80.8 1.0
C24 B:9XH901 4.1 80.9 1.0
O B:HOH1027 4.4 20.4 1.0
CB B:HIS500 4.9 52.9 1.0

Fluorine binding site 4 out of 8 in 6eor

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Fluorine binding site 4 out of 8 in the DPP9 - 1G244


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of DPP9 - 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F901

b:1.0
occ:1.00
 F35 B:9XH901 0.0 1.0 1.0
C34 B:9XH901 1.4 0.1 1.0
C36 B:9XH901 2.4 96.4 1.0
C33 B:9XH901 2.4 98.5 1.0
C37 B:9XH901 3.7 92.0 1.0
C32 B:9XH901 3.7 93.9 1.0
CE B:LYS660 4.0 56.8 1.0
C31 B:9XH901 4.2 88.3 1.0
NZ B:LYS660 4.4 58.2 1.0
CG B:ARG133 5.0 49.8 1.0

Fluorine binding site 5 out of 8 in 6eor

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Fluorine binding site 5 out of 8 in the DPP9 - 1G244


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of DPP9 - 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F901

b:87.5
occ:1.00
 F28 C:9XH901 0.0 87.5 1.0
C27 C:9XH901 1.3 84.2 1.0
C29 C:9XH901 2.4 82.8 1.0
C26 C:9XH901 2.4 82.4 1.0
C25 C:9XH901 3.6 81.5 1.0
C30 C:9XH901 3.6 83.4 1.0
C24 C:9XH901 4.2 80.7 1.0
CB C:SER841 4.3 28.9 1.0
CG C:ARG133 4.8 40.5 1.0

Fluorine binding site 6 out of 8 in 6eor

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Fluorine binding site 6 out of 8 in the DPP9 - 1G244


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of DPP9 - 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F901

b:62.8
occ:1.00
 F35 C:9XH901 0.0 62.8 1.0
C34 C:9XH901 1.3 73.6 1.0
C36 C:9XH901 2.3 76.7 1.0
C33 C:9XH901 2.4 74.4 1.0
C37 C:9XH901 3.6 78.4 1.0
C32 C:9XH901 3.7 74.1 1.0
C31 C:9XH901 4.2 76.0 1.0

Fluorine binding site 7 out of 8 in 6eor

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Fluorine binding site 7 out of 8 in the DPP9 - 1G244


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of DPP9 - 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F901

b:75.9
occ:1.00
 F28 D:9XH901 0.0 75.9 1.0
C27 D:9XH901 1.3 76.9 1.0
C26 D:9XH901 2.4 76.9 1.0
C29 D:9XH901 2.4 77.9 1.0
CB D:SER841 3.5 27.8 1.0
C25 D:9XH901 3.6 80.9 1.0
C30 D:9XH901 3.7 77.9 1.0
CA D:SER841 3.9 27.9 1.0
C24 D:9XH901 4.2 79.9 1.0
N D:SER841 4.3 26.7 1.0
OG D:SER841 4.5 27.2 1.0
O D:HIS840 4.6 25.0 1.0
C D:HIS840 4.7 24.8 1.0
CD2 D:HIS840 4.7 23.0 1.0

Fluorine binding site 8 out of 8 in 6eor

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Fluorine binding site 8 out of 8 in the DPP9 - 1G244


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of DPP9 - 1G244 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F901

b:65.8
occ:1.00
 F35 D:9XH901 0.0 65.8 1.0
C34 D:9XH901 1.3 77.0 1.0
C33 D:9XH901 2.4 76.5 1.0
C36 D:9XH901 2.4 80.0 1.0
C32 D:9XH901 3.7 76.1 1.0
C37 D:9XH901 3.7 82.1 1.0
C31 D:9XH901 4.2 79.0 1.0
NZ D:LYS660 5.0 44.0 1.0

Reference:

B.Ross, S.Krapp, M.Augustin, R.Kierfersauer, M.Arciniega, R.Geiss-Friedlander, R.Huber. Structures and Mechanism of Dipeptidyl Peptidases 8 and 9, Important Players in Cellular Homeostasis and Cancer. Proc. Natl. Acad. Sci. V. 115 E1437 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29382749
DOI: 10.1073/PNAS.1717565115
Page generated: Sun Dec 13 12:49:37 2020

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