Atomistry » Arsenic » PDB 5yva-6i5j » 6dun
Atomistry »
  Arsenic »
    PDB 5yva-6i5j »
      6dun »

Arsenic in PDB 6dun: Crystal Structure Analysis of PIN1

Enzymatic activity of Crystal Structure Analysis of PIN1

All present enzymatic activity of Crystal Structure Analysis of PIN1:
5.2.1.8;

Protein crystallography data

The structure of Crystal Structure Analysis of PIN1, PDB code: 6dun was solved by H.-S.Seo, S.Dhe-Paganon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.69 / 1.59
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 117.270, 36.210, 51.590, 90.00, 100.75, 90.00
R / Rfree (%) 15.2 / 19.9

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure Analysis of PIN1 (pdb code 6dun). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure Analysis of PIN1, PDB code: 6dun:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 6dun

Go back to Arsenic Binding Sites List in 6dun
Arsenic binding site 1 out of 2 in the Crystal Structure Analysis of PIN1


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure Analysis of PIN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As4000

b:63.2
occ:1.00
AS A:TAS4000 0.0 63.2 1.0
O3 A:TAS4000 1.8 60.1 1.0
O1 A:TAS4000 1.8 63.4 1.0
O2 A:TAS4000 1.8 58.4 1.0
H31 A:TAS4000 2.2 72.1 1.0
H11 A:TAS4000 2.2 76.1 1.0
H21 A:TAS4000 2.2 70.1 1.0
H A:GLN131 3.4 23.9 1.0
HG3 A:GLN131 3.6 30.6 1.0
HB3 A:MET130 3.8 28.0 1.0
HB2 A:GLN131 3.8 24.9 1.0
HB3 A:PHE134 3.8 20.3 1.0
HE1 A:HIS157 3.8 19.5 1.0
HB2 A:PHE134 3.9 20.3 1.0
CG A:PHE134 4.0 16.1 1.0
CD A:GLN131 4.1 29.9 1.0
CB A:PHE134 4.1 16.9 1.0
CG A:GLN131 4.1 25.5 1.0
NE2 A:GLN131 4.1 30.4 1.0
HE21 A:GLN131 4.2 36.5 1.0
CD2 A:PHE134 4.2 16.7 1.0
SD A:MET130 4.2 25.0 1.0
N A:GLN131 4.2 19.9 1.0
HD2 A:PHE134 4.3 20.1 1.0
CB A:GLN131 4.4 20.8 1.0
CE1 A:HIS157 4.4 16.2 1.0
HE22 A:GLN131 4.5 36.5 1.0
CD1 A:PHE134 4.5 15.9 1.0
HA A:MET130 4.5 27.9 1.0
OE1 A:GLN131 4.5 29.7 1.0
HG21 A:THR152 4.6 25.7 1.0
HG1 A:THR152 4.6 23.5 1.0
CB A:MET130 4.6 23.4 1.0
O A:HOH4154 4.7 43.8 0.5
OG A:SER154 4.7 22.9 1.0
HD1 A:PHE134 4.7 19.1 1.0
CE2 A:PHE134 4.8 17.1 1.0
NE2 A:HIS157 4.9 16.8 1.0
HB2 A:SER154 5.0 21.5 1.0
CA A:MET130 5.0 23.3 1.0
CA A:GLN131 5.0 20.5 1.0

Arsenic binding site 2 out of 2 in 6dun

Go back to Arsenic Binding Sites List in 6dun
Arsenic binding site 2 out of 2 in the Crystal Structure Analysis of PIN1


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure Analysis of PIN1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As4000

b:84.5
occ:1.00
AS B:TAS4000 0.0 84.5 1.0
O2 B:TAS4000 1.8 84.9 1.0
O1 B:TAS4000 1.8 84.5 1.0
O3 B:TAS4000 1.8 85.1 1.0
H21 B:TAS4000 2.2 0.9 1.0
H11 B:TAS4000 2.2 0.4 1.0
H31 B:TAS4000 2.2 0.1 1.0
HE2 B:MET130 2.7 44.8 1.0
HB2 B:GLN131 3.3 37.2 1.0
H B:GLN131 3.4 24.6 1.0
CE B:MET130 3.5 37.3 1.0
HE1 B:HIS157 3.5 17.0 1.0
HE3 B:MET130 3.6 44.8 1.0
HG3 B:GLN131 3.6 46.2 1.0
HB2 B:PHE134 3.7 17.7 1.0
HB3 B:MET130 3.8 28.1 1.0
HG21 B:THR152 3.8 21.7 1.0
HE1 B:MET130 3.8 44.8 1.0
HB3 B:PHE134 3.9 17.7 1.0
CE1 B:HIS157 4.0 14.2 1.0
HG B:SER154 4.1 28.0 1.0
CG B:PHE134 4.1 15.6 1.0
CB B:PHE134 4.1 14.7 1.0
CD2 B:PHE134 4.1 12.8 1.0
HD2 B:PHE134 4.1 15.4 1.0
CB B:GLN131 4.2 31.0 1.0
N B:GLN131 4.2 20.5 1.0
CG B:GLN131 4.2 38.5 1.0
NE2 B:HIS157 4.4 14.8 1.0
HG2 B:GLN131 4.4 46.2 1.0
OG1 B:THR152 4.6 17.8 1.0
CD1 B:PHE134 4.6 14.9 1.0
OG B:SER154 4.6 23.4 1.0
HB2 B:SER154 4.6 22.8 1.0
HA B:MET130 4.6 26.6 1.0
HB B:THR152 4.6 20.1 1.0
CG2 B:THR152 4.7 18.1 1.0
CB B:MET130 4.7 23.4 1.0
CE2 B:PHE134 4.7 15.5 1.0
CA B:GLN131 4.8 24.1 1.0
HB3 B:GLN131 4.9 37.2 1.0
CB B:THR152 4.9 16.8 1.0
SD B:MET130 4.9 34.9 1.0
ND1 B:HIS157 4.9 15.6 1.0
HD1 B:PHE134 4.9 17.9 1.0

Reference:

S.Kozono, Y.M.Lin, H.S.Seo, B.Pinch, X.Lian, C.Qiu, M.K.Herbert, C.H.Chen, L.Tan, Z.J.Gao, W.Massefski, Z.M.Doctor, B.P.Jackson, Y.Chen, S.Dhe-Paganon, K.P.Lu, X.Z.Zhou. Arsenic Targets PIN1 and Cooperates with Retinoic Acid to Inhibit Cancer-Driving Pathways and Tumor-Initiating Cells. Nat Commun V. 9 3069 2018.
ISSN: ESSN 2041-1723
PubMed: 30093655
DOI: 10.1038/S41467-018-05402-2
Page generated: Sat Dec 12 01:48:41 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy