Atomistry » Tin » PDB 3e94-7axg » 7axg
Atomistry »
  Tin »
    PDB 3e94-7axg »
      7axg »

Tin in PDB 7axg: Crystal Structure of the Hpxr-Lbd in Complex with Tributyltin

Protein crystallography data

The structure of Crystal Structure of the Hpxr-Lbd in Complex with Tributyltin, PDB code: 7axg was solved by V.Delfosse, T.Huet, P.Blanc, W.Bourguet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.29 / 2.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 92.32, 92.32, 86.71, 90, 90, 90
R / Rfree (%) 20.9 / 23.8

Tin Binding Sites:

The binding sites of Tin atom in the Crystal Structure of the Hpxr-Lbd in Complex with Tributyltin (pdb code 7axg). This binding sites where shown within 5.0 Angstroms radius around Tin atom.
In total 2 binding sites of Tin where determined in the Crystal Structure of the Hpxr-Lbd in Complex with Tributyltin, PDB code: 7axg:
Jump to Tin binding site number: 1; 2;

Tin binding site 1 out of 2 in 7axg

Go back to Tin Binding Sites List in 7axg
Tin binding site 1 out of 2 in the Crystal Structure of the Hpxr-Lbd in Complex with Tributyltin


Mono view


Stereo pair view

A full contact list of Tin with other atoms in the Sn binding site number 1 of Crystal Structure of the Hpxr-Lbd in Complex with Tributyltin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sn501

b:77.0
occ:1.00
SN1 A:TBY501 0.0 77.0 1.0
SG A:CYS207 2.0 79.4 1.0
C10 A:TBY501 2.1 62.1 1.0
C2 A:TBY501 2.1 64.8 1.0
C6 A:TBY501 2.2 65.5 1.0
CB A:CYS207 2.8 75.7 1.0
C3 A:TBY501 3.0 56.5 1.0
C7 A:TBY501 3.1 60.3 1.0
C11 A:TBY501 3.1 62.6 1.0
C4 A:TBY501 4.2 50.8 1.0
C12 A:TBY501 4.2 60.2 1.0
CA A:CYS207 4.2 75.4 1.0
C8 A:TBY501 4.3 55.1 1.0
O A:LEU209 4.7 69.2 1.0
C13 A:TBY501 4.8 55.7 1.0
C A:CYS207 4.9 76.6 1.0

Tin binding site 2 out of 2 in 7axg

Go back to Tin Binding Sites List in 7axg
Tin binding site 2 out of 2 in the Crystal Structure of the Hpxr-Lbd in Complex with Tributyltin


Mono view


Stereo pair view

A full contact list of Tin with other atoms in the Sn binding site number 2 of Crystal Structure of the Hpxr-Lbd in Complex with Tributyltin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sn502

b:45.7
occ:1.00
SN1 A:TBY502 0.0 45.7 1.0
C2 A:TBY502 2.1 48.3 1.0
C10 A:TBY502 2.1 43.0 1.0
C6 A:TBY502 2.2 44.9 1.0
SG A:CYS284 2.3 40.5 1.0
C3 A:TBY502 3.1 48.0 1.0
C11 A:TBY502 3.1 47.7 1.0
C7 A:TBY502 3.1 45.8 1.0
CB A:CYS284 3.5 42.0 1.0
C12 A:TBY502 4.3 50.1 1.0
C A:CYS284 4.3 38.3 1.0
C13 A:TBY501 4.4 55.7 1.0
C4 A:TBY502 4.4 49.5 1.0
C8 A:TBY502 4.4 46.8 1.0
CA A:CYS284 4.5 40.7 1.0
O A:CYS284 4.5 37.4 1.0
NE2 A:GLN285 4.6 47.5 1.0
N A:GLN285 4.6 39.1 1.0
OG A:SER247 4.7 42.2 1.0
CD1 A:PHE288 4.7 38.7 1.0
CE1 A:PHE288 4.8 38.8 1.0

Reference:

V.Delfosse, T.Huet, D.Harrus, M.Granell, M.Bourguet, C.Gardia-Parege, B.Chiavarina, M.Grimaldi, S.Le Mevel, P.Blanc, D.Huang, J.Gruszczyk, B.Demeneix, S.Cianferani, J.B.Fini, P.Balaguer, W.Bourguet. Mechanistic Insights Into the Synergistic Activation of the Rxr-Pxr Heterodimer By Endocrine Disruptor Mixtures. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 33361153
DOI: 10.1073/PNAS.2020551118
Page generated: Mon Jan 25 16:03:01 2021

Last articles

Zn in 7M6U
Zn in 7NNG
Zn in 7NEE
Zn in 7NEU
Zn in 7M3K
Zn in 7KWD
Zn in 7KYH
Zn in 7KNG
Zn in 7KY2
Zn in 7KYF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy