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Chlorine in PDB 5rxd: INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z111810692

Enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z111810692

All present enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z111810692:
3.1.3.36; 3.1.3.56; 3.1.3.86;

Protein crystallography data

The structure of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z111810692, PDB code: 5rxd was solved by W.J.Bradshaw, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.21 / 1.33
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.415, 79.183, 89.185, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19.1

Other elements in 5rxd:

The structure of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z111810692 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z111810692 (pdb code 5rxd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z111810692, PDB code: 5rxd:

Chlorine binding site 1 out of 1 in 5rxd

Go back to Chlorine Binding Sites List in 5rxd
Chlorine binding site 1 out of 1 in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z111810692


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z111810692 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:24.1
occ:0.66
 CL1 A:WNP901 0.0 24.1 0.7
C12 A:WNP901 1.8 25.6 0.7
C14 A:WNP901 2.7 25.8 0.7
C11 A:WNP901 2.8 25.8 0.7
CA A:GLU498 3.6 16.8 1.0
CG2 A:VAL479 3.8 11.2 1.0
CB A:LYS477 3.9 15.3 1.0
CB A:GLU498 3.9 19.1 1.0
CG A:GLU498 4.0 23.5 1.0
C08 A:WNP901 4.0 27.8 0.7
C10 A:WNP901 4.1 25.9 0.7
CD1 A:ILE501 4.2 14.6 1.0
O A:GLU498 4.3 18.9 1.0
N A:GLU498 4.3 14.8 1.0
C A:GLU498 4.5 17.1 1.0
CG A:LYS477 4.5 17.6 1.0
CB A:ALA493 4.5 10.9 1.0
C09 A:WNP901 4.6 26.7 0.7
O A:HIS497 4.7 13.6 1.0
CB A:ILE501 4.7 12.4 1.0
C A:HIS497 4.7 13.9 1.0
CA A:VAL479 4.8 10.3 1.0
CB A:VAL479 4.8 10.9 1.0
CG2 A:ILE501 4.9 13.2 1.0
CD A:GLU498 5.0 24.8 1.0

Reference:

W.J.Bradshaw, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi. INPP5D Pandda Analysis Group Deposition To Be Published.
Page generated: Sat Dec 12 12:25:58 2020

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