Fluorine in PDB 8juc: 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: 8juc 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) 46.94 / 1.54
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 54.667, 54.667, 183.196, 90, 90, 90
R / Rfree (%) 21.8 / 23.7

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 8juc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Identification of Small-Molecule Binding Sites of A Ubiquitin- Conjugating Enzyme-UBE2T Through Fragment-Based Screening, PDB code: 8juc:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 8juc

Go back to Fluorine Binding Sites List in 8juc
Fluorine binding site 1 out of 3 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:46.8
occ:0.68
 F13 A:V23201 0.0 46.8 0.7
C12 A:V23201 1.4 40.9 0.7
F14 A:V23201 2.2 59.2 0.7
F15 A:V23201 2.2 46.4 0.7
C06 A:V23201 2.3 36.6 0.7
NH2 A:ARG9 3.1 67.4 1.0
N05 A:V23201 3.1 33.4 0.7
CD A:ARG9 3.2 53.3 1.0
N07 A:V23201 3.3 33.6 0.7
CG A:ARG9 3.5 36.3 1.0
CG A:GLU10 3.8 29.1 1.0
CZ A:ARG9 3.9 85.2 1.0
NE A:ARG9 4.0 73.4 1.0
CB A:ARG9 4.1 31.6 1.0
N A:GLU10 4.1 28.9 1.0
C04 A:V23201 4.2 27.8 0.7
C A:ARG9 4.3 28.5 1.0
N08 A:V23201 4.3 36.7 0.7
CA A:GLU10 4.3 24.7 1.0
O A:ARG9 4.5 25.0 1.0
O A:HOH386 4.6 44.3 1.0
CG A:MET13 4.6 33.4 1.0
CD A:GLU10 4.6 29.8 1.0
CB A:GLU10 4.7 24.7 1.0
NE A:ARG6 4.7 34.5 1.0
CD A:ARG6 4.8 31.7 1.0
CA A:ARG9 4.8 23.1 1.0
O A:ARG6 4.8 29.8 1.0
OE2 A:GLU10 4.9 33.1 1.0

Fluorine binding site 2 out of 3 in 8juc

Go back to Fluorine Binding Sites List in 8juc
Fluorine binding site 2 out of 3 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 2 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:59.2
occ:0.68
 F14 A:V23201 0.0 59.2 0.7
C12 A:V23201 1.4 40.9 0.7
F13 A:V23201 2.2 46.8 0.7
F15 A:V23201 2.3 46.4 0.7
C06 A:V23201 2.4 36.6 0.7
N07 A:V23201 2.7 33.6 0.7
O A:HOH386 3.0 44.3 1.0
NH2 A:ARG9 3.6 67.4 1.0
N05 A:V23201 3.6 33.4 0.7
ND2 A:ASN103 4.1 31.2 1.0
N08 A:V23201 4.1 36.7 0.7
CD A:ARG9 4.4 53.3 1.0
C04 A:V23201 4.5 27.8 0.7
CZ A:ARG9 4.8 85.2 1.0
CG A:ASN103 4.9 28.3 1.0
CB A:ASN103 5.0 23.9 1.0

Fluorine binding site 3 out of 3 in 8juc

Go back to Fluorine Binding Sites List in 8juc
Fluorine binding site 3 out of 3 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 3 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:46.4
occ:0.68
 F15 A:V23201 0.0 46.4 0.7
C12 A:V23201 1.4 40.9 0.7
F13 A:V23201 2.2 46.8 0.7
F14 A:V23201 2.3 59.2 0.7
C06 A:V23201 2.4 36.6 0.7
N05 A:V23201 3.0 33.4 0.7
O A:HOH386 3.0 44.3 1.0
CB A:ASN103 3.3 23.9 1.0
CG A:GLU10 3.4 29.1 1.0
CD A:GLU10 3.5 29.8 1.0
OE2 A:GLU10 3.5 33.1 1.0
NE A:ARG6 3.6 34.5 1.0
N07 A:V23201 3.6 33.6 0.7
ND2 A:ASN103 3.6 31.2 1.0
CG A:ASN103 3.8 28.3 1.0
NH2 A:ARG6 4.0 32.8 1.0
CZ A:ARG6 4.0 36.7 1.0
NH2 A:ARG9 4.0 67.4 1.0
OE1 A:GLU10 4.2 27.6 1.0
C04 A:V23201 4.2 27.8 0.7
CD A:ARG6 4.3 31.7 1.0
N08 A:V23201 4.5 36.7 0.7
CA A:ASN103 4.6 25.8 1.0
CB A:GLU10 4.7 24.7 1.0
O A:HOH339 4.8 30.3 1.0
O A:LEU102 4.8 32.1 1.0
OD1 A:ASN103 4.9 27.1 1.0
NH1 A:ARG6 4.9 32.8 1.0
CA A:GLU10 5.0 24.7 1.0

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 21:01:28 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy