Fluorine in PDB 8jvd: Identification of Small-Molecule Binding Sites of A Ubiquitin- Conjugating Enzyme-UBE2T Through Fragment-Based Screening

Enzymatic activity of Identification of Small-Molecule Binding Sites of A Ubiquitin- Conjugating Enzyme-UBE2T Through Fragment-Based Screening

All present enzymatic activity of Identification of Small-Molecule Binding Sites of A Ubiquitin- Conjugating Enzyme-UBE2T Through Fragment-Based Screening:
2.3.2.23;

Protein crystallography data

The structure of Identification of Small-Molecule Binding Sites of A Ubiquitin- Conjugating Enzyme-UBE2T Through Fragment-Based Screening, PDB code: 8jvd was solved by J.Anantharajan, N.Baburajendran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.89 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 54.636, 54.636, 182.728, 90, 90, 90
R / Rfree (%) 22.8 / 25.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Identification of Small-Molecule Binding Sites of A Ubiquitin- Conjugating Enzyme-UBE2T Through Fragment-Based Screening (pdb code 8jvd). 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 Identification of Small-Molecule Binding Sites of A Ubiquitin- Conjugating Enzyme-UBE2T Through Fragment-Based Screening, PDB code: 8jvd:

Fluorine binding site 1 out of 1 in 8jvd

Go back to Fluorine Binding Sites List in 8jvd
Fluorine binding site 1 out of 1 in the Identification of Small-Molecule Binding Sites of A Ubiquitin- Conjugating Enzyme-UBE2T Through Fragment-Based Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Identification of Small-Molecule Binding Sites of A Ubiquitin- Conjugating Enzyme-UBE2T Through Fragment-Based Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:69.9
occ:0.92
 F07 A:V2R201 0.0 69.9 0.9
C06 A:V2R201 1.4 61.3 0.9
C08 A:V2R201 2.4 70.9 0.9
C05 A:V2R201 2.4 44.8 0.9
C09 A:V2R201 3.7 50.0 0.9
C04 A:V2R201 3.7 64.9 0.9
CA A:ASP88 3.8 32.5 1.0
OD2 A:ASP122 4.0 91.9 1.0
N A:ASP88 4.0 31.0 1.0
C10 A:V2R201 4.2 70.4 0.9
C A:LEU87 4.3 29.1 1.0
CB A:ASP88 4.3 34.4 1.0
O A:LEU87 4.5 29.1 1.0
SG A:CYS86 4.5 40.8 1.0
N A:LEU87 4.8 28.2 1.0
O A:LYS95 4.8 43.0 1.0
O A:HOH359 4.9 36.7 1.0
O A:HOH334 4.9 55.0 1.0
CA A:LEU87 4.9 30.7 1.0
N03 A:V2R201 5.0 58.9 0.9

Reference:

Y.Y.Loh, J.Anantharajan, Q.Huang, W.Xu, J.Fulwood, H.Q.Ng, E.Y.Ng, C.Y.Gea, M.L.Choong, Q.W.Tan, X.Koh, W.H.Lim, K.Nacro, J.Cherian, N.Baburajendran, Z.Ke, C.Kang. Identification of Small-Molecule Binding Sites of A Ubiquitin-Conjugating Enzyme-UBE2T Through Fragment-Based Screening. Protein Sci. V. 33 E4904 2024.
ISSN: ESSN 1469-896X
PubMed: 38358126
DOI: 10.1002/PRO.4904
Page generated: Fri Aug 2 21:02:48 2024

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