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Chlorine in PDB 5rxg: INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434909

Enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434909

All present enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434909:
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 Z2856434909, PDB code: 5rxg 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) 59.02 / 1.52
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.070, 78.950, 88.860, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 20.6

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 Z2856434909 (pdb code 5rxg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434909, PDB code: 5rxg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5rxg

Go back to Chlorine Binding Sites List in 5rxg
Chlorine binding site 1 out of 2 in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434909


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 Z2856434909 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:19.5
occ:0.54
 CL0 A:WLD901 0.0 19.5 0.5
C08 A:WLD901 1.8 21.1 0.5
C07 A:WLD901 2.7 22.1 0.5
C10 A:WLD901 2.7 21.3 0.5
O A:HOH1182 2.9 22.5 0.5
C06 A:WLD901 3.0 22.7 0.5
O A:HOH1229 3.3 22.8 0.5
N05 A:WLD901 3.5 23.9 0.5
O A:HOH1120 3.5 21.5 1.0
CB A:ARG623 3.7 14.1 0.5
O A:ARG623 3.8 14.1 0.5
O A:HOH1119 3.9 15.6 1.0
NE A:ARG623 3.9 16.0 0.5
C A:ARG623 4.0 13.9 0.5
C13 A:WLD901 4.0 23.0 0.5
C11 A:WLD901 4.0 22.1 0.5
NH1 A:ARG623 4.1 16.1 0.5
CA A:ARG623 4.4 13.8 0.5
CZ A:ARG623 4.4 15.9 0.5
N A:ARG624 4.5 14.6 0.5
C12 A:WLD901 4.5 22.4 0.5
CG A:ARG623 4.6 14.6 0.5
O A:PHE632 4.6 15.4 1.0
C04 A:WLD901 4.7 25.5 0.5
CA A:ARG624 4.8 14.9 0.5
CD A:ARG623 4.9 15.3 0.5
O A:HOH1102 4.9 35.7 1.0

Chlorine binding site 2 out of 2 in 5rxg

Go back to Chlorine Binding Sites List in 5rxg
Chlorine binding site 2 out of 2 in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434909


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434909 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:25.6
occ:0.54
 CL1 A:WLD901 0.0 25.6 0.5
C13 A:WLD901 1.8 23.0 0.5
C07 A:WLD901 2.7 22.1 0.5
C12 A:WLD901 2.7 22.4 0.5
C06 A:WLD901 3.0 22.7 0.5
N05 A:WLD901 3.6 23.9 0.5
C08 A:WLD901 4.0 21.1 0.5
C11 A:WLD901 4.0 22.1 0.5
C04 A:WLD901 4.0 25.5 0.5
O03 A:WLD901 4.4 28.1 0.5
O A:HOH1001 4.5 21.7 0.2
C10 A:WLD901 4.5 21.3 0.5
C02 A:WLD901 4.9 26.8 0.5
NH1 A:ARG624 4.9 18.6 0.5

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 12:26:04 2020

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