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Arsenic in PDB 6qhk: Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S

Enzymatic activity of Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S

All present enzymatic activity of Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S:
2.3.2.23;

Protein crystallography data

The structure of Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S, PDB code: 6qhk was solved by A.K.L.Liess, S.Lorenz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.42 / 1.96
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 83.150, 83.150, 83.125, 90.00, 90.00, 120.00
R / Rfree (%) 18.9 / 22.3

Other elements in 6qhk:

The structure of Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S (pdb code 6qhk). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S, PDB code: 6qhk:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 6qhk

Go back to Arsenic Binding Sites List in 6qhk
Arsenic binding site 1 out of 2 in the Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As204

b:43.9
occ:0.60
AS7 A:PA0204 0.0 43.9 0.6
C1 A:PA0204 1.1 48.9 0.4
AS7 A:PA0204 1.2 37.1 0.4
C2 A:PA0204 1.9 53.0 0.4
C1 A:PA0204 1.9 51.9 0.6
H2 A:PA0204 2.1 63.6 0.4
C6 A:PA0204 2.3 53.8 0.4
SG A:CYS118 2.4 36.0 1.0
SG B:CYS118 2.4 34.2 1.0
HB3 B:CYS118 2.7 28.0 1.0
H6 A:PA0204 2.7 64.5 0.4
C6 A:PA0204 2.9 54.9 0.6
C2 A:PA0204 2.9 54.6 0.6
H6 A:PA0204 2.9 65.9 0.6
H2 A:PA0204 3.0 65.5 0.6
CB B:CYS118 3.1 23.3 1.0
C3 A:PA0204 3.1 56.9 0.4
C5 A:PA0204 3.4 57.0 0.4
HB3 A:CYS118 3.5 38.7 1.0
HB2 B:CYS118 3.5 28.0 1.0
CB A:CYS118 3.6 32.2 1.0
C4 A:PA0204 3.7 58.0 0.4
H3 A:PA0204 3.9 68.3 0.4
HA B:THR115 3.9 30.0 1.0
HB2 A:CYS118 4.0 38.7 1.0
C5 A:PA0204 4.2 56.4 0.6
C3 A:PA0204 4.2 56.5 0.6
H5 A:PA0204 4.3 68.4 0.4
HB B:THR115 4.3 34.8 1.0
CA B:CYS118 4.4 24.5 1.0
HG22 B:THR115 4.5 27.9 1.0
C B:CYS118 4.5 28.0 1.0
HG23 A:THR115 4.6 32.9 1.0
HD2 A:HIS122 4.6 39.1 1.0
O B:THR115 4.6 23.9 1.0
H4 A:PA0204 4.7 69.6 0.4
N B:LEU119 4.7 25.4 1.0
C4 A:PA0204 4.7 57.3 0.6
H B:LEU119 4.7 30.5 1.0
CA B:THR115 4.7 25.0 1.0
CA A:CYS118 4.8 19.4 1.0
HG21 B:VAL98 4.9 38.0 1.0
HA B:CYS118 4.9 29.4 1.0
CB B:THR115 4.9 29.0 1.0
H5 A:PA0204 4.9 67.7 0.6
H3 A:PA0204 5.0 67.8 0.6

Arsenic binding site 2 out of 2 in 6qhk

Go back to Arsenic Binding Sites List in 6qhk
Arsenic binding site 2 out of 2 in the Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Pao-Linked Dimer of the Catalytic Domain of the Human Ubiquitin- Conjugating Enzyme UBE2S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As204

b:37.1
occ:0.40
AS7 A:PA0204 0.0 37.1 0.4
AS7 A:PA0204 1.2 43.9 0.6
C1 A:PA0204 1.5 51.9 0.6
C1 A:PA0204 1.9 48.9 0.4
C2 A:PA0204 2.0 54.6 0.6
H2 A:PA0204 2.1 65.5 0.6
SG A:CYS118 2.4 36.0 1.0
SG B:CYS118 2.4 34.2 1.0
HB3 A:CYS118 2.6 38.7 1.0
C6 A:PA0204 2.7 54.9 0.6
C6 A:PA0204 2.9 53.8 0.4
C2 A:PA0204 2.9 53.0 0.4
H6 A:PA0204 2.9 64.5 0.4
CB A:CYS118 3.0 32.2 1.0
H2 A:PA0204 3.0 63.6 0.4
H6 A:PA0204 3.1 65.9 0.6
C3 A:PA0204 3.3 56.5 0.6
HB2 A:CYS118 3.5 38.7 1.0
HB3 B:CYS118 3.5 28.0 1.0
HG23 A:THR115 3.6 32.9 1.0
CB B:CYS118 3.6 23.3 1.0
C5 A:PA0204 3.8 56.4 0.6
HB2 B:CYS118 3.9 28.0 1.0
C4 A:PA0204 4.0 57.3 0.6
H3 A:PA0204 4.0 67.8 0.6
HA A:THR115 4.1 28.6 1.0
C5 A:PA0204 4.2 57.0 0.4
C3 A:PA0204 4.2 56.9 0.4
CA A:CYS118 4.2 19.4 1.0
C A:CYS118 4.3 26.9 1.0
CG2 A:THR115 4.5 27.4 1.0
HG22 A:THR115 4.5 32.9 1.0
O A:THR115 4.6 22.5 1.0
N A:LEU119 4.6 25.1 1.0
H5 A:PA0204 4.6 67.7 0.6
H A:LEU119 4.7 30.1 1.0
O A:CYS118 4.7 23.7 1.0
C4 A:PA0204 4.7 58.0 0.4
HA A:CYS118 4.7 23.4 1.0
HG21 A:VAL98 4.8 31.2 1.0
HA B:THR115 4.9 30.0 1.0
HA A:LEU119 4.9 30.7 1.0
H5 A:PA0204 4.9 68.4 0.4
CA B:CYS118 4.9 24.5 1.0
HD2 A:HIS122 5.0 39.1 1.0
H3 A:PA0204 5.0 68.3 0.4
CA A:THR115 5.0 23.8 1.0
H4 A:PA0204 5.0 68.8 0.6

Reference:

A.K.L.Liess, A.Kucerova, K.Schweimer, L.Yu, T.I.Roumeliotis, M.Diebold, O.Dybkov, C.Sotriffer, H.Urlaub, J.S.Choudhary, J.Mansfeld, S.Lorenz. Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S By Autoubiquitination. Structure V. 27 1195 2019.
ISSN: ISSN 0969-2126
PubMed: 31230944
DOI: 10.1016/J.STR.2019.05.008
Page generated: Sat Dec 12 01:49:34 2020

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