Fluorine in PDB 7ms6: Structure of USP5 Zinc-Finger Ubiquitin Binding Domain Co-Crystallized with (2-Fluoro-4-((4-Phenylpiperidin-1-Yl)Sulfonyl)Benzoyl)Glycine

Enzymatic activity of Structure of USP5 Zinc-Finger Ubiquitin Binding Domain Co-Crystallized with (2-Fluoro-4-((4-Phenylpiperidin-1-Yl)Sulfonyl)Benzoyl)Glycine

All present enzymatic activity of Structure of USP5 Zinc-Finger Ubiquitin Binding Domain Co-Crystallized with (2-Fluoro-4-((4-Phenylpiperidin-1-Yl)Sulfonyl)Benzoyl)Glycine:
3.4.19.12;

Protein crystallography data

The structure of Structure of USP5 Zinc-Finger Ubiquitin Binding Domain Co-Crystallized with (2-Fluoro-4-((4-Phenylpiperidin-1-Yl)Sulfonyl)Benzoyl)Glycine, PDB code: 7ms6 was solved by M.K.Mann, C.A.Zepeda-Velazquez, H.G.Alvarez, A.Dong, T.Kiyota, A.Aman, C.H.Arrowsmith, R.Al-Awar, R.J.Harding, M.Schapira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.07 / 1.55
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 53.575, 53.575, 54.097, 90, 90, 90
R / Rfree (%) 14.8 / 16.4

Other elements in 7ms6:

The structure of Structure of USP5 Zinc-Finger Ubiquitin Binding Domain Co-Crystallized with (2-Fluoro-4-((4-Phenylpiperidin-1-Yl)Sulfonyl)Benzoyl)Glycine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of USP5 Zinc-Finger Ubiquitin Binding Domain Co-Crystallized with (2-Fluoro-4-((4-Phenylpiperidin-1-Yl)Sulfonyl)Benzoyl)Glycine (pdb code 7ms6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure of USP5 Zinc-Finger Ubiquitin Binding Domain Co-Crystallized with (2-Fluoro-4-((4-Phenylpiperidin-1-Yl)Sulfonyl)Benzoyl)Glycine, PDB code: 7ms6:

Fluorine binding site 1 out of 1 in 7ms6

Go back to Fluorine Binding Sites List in 7ms6
Fluorine binding site 1 out of 1 in the Structure of USP5 Zinc-Finger Ubiquitin Binding Domain Co-Crystallized with (2-Fluoro-4-((4-Phenylpiperidin-1-Yl)Sulfonyl)Benzoyl)Glycine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of USP5 Zinc-Finger Ubiquitin Binding Domain Co-Crystallized with (2-Fluoro-4-((4-Phenylpiperidin-1-Yl)Sulfonyl)Benzoyl)Glycine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:11.1
occ:1.00
 F A:ZPV301 0.0 11.1 1.0
C18 A:ZPV301 1.4 10.5 1.0
C19 A:ZPV301 2.3 12.1 1.0
C14 A:ZPV301 2.4 10.0 1.0
N1 A:ZPV301 2.7 8.2 1.0
C15 A:ZPV301 3.0 8.9 1.0
CH2 A:TRP209 3.1 8.4 1.0
CZ2 A:TRP209 3.2 7.9 1.0
O A:HOH535 3.2 21.9 1.0
O A:HOH428 3.3 11.9 1.0
C11 A:ZPV301 3.6 11.8 1.0
SD A:MET266 3.6 11.3 1.0
O A:HOH529 3.6 27.4 1.0
C13 A:ZPV301 3.6 10.8 1.0
C16 A:ZPV301 4.1 7.8 1.0
C12 A:ZPV301 4.1 11.0 1.0
O2 A:ZPV301 4.2 10.1 1.0
CZ3 A:TRP209 4.2 8.0 1.0
CE2 A:TRP209 4.3 7.9 1.0
O A:HOH445 4.4 23.4 1.0
OH A:TYR223 4.6 13.5 1.0
CE A:MET266 4.6 12.2 1.0
CD1 A:TYR259 4.6 8.7 1.0
O A:ZPV301 4.6 10.5 1.0
CB A:TYR259 4.6 8.7 1.0
CG A:TYR259 4.7 8.3 1.0
C17 A:ZPV301 5.0 9.3 1.0
CG A:MET266 5.0 12.3 1.0

Reference:

M.K.Mann, C.A.Zepeda-Velazquez, H.G.Alvarez, A.Dong, T.Kiyota, A.Aman, C.H.Arrowsmith, R.Al-Awar, R.J.Harding, M.Schapira. Structure Activity Relationship of Allosteric Inhibitors of USP5 To Be Published.
Page generated: Fri Aug 2 09:46:07 2024

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