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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

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