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Chlorine in PDB 5rx4: INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z1593306637

Enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z1593306637

All present enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z1593306637:
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 Z1593306637, PDB code: 5rx4 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) 51.31 / 1.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.570, 79.320, 89.350, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 19.5

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 Z1593306637 (pdb code 5rx4). 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 Z1593306637, PDB code: 5rx4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5rx4

Go back to Chlorine Binding Sites List in 5rx4
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 Z1593306637


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 Z1593306637 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:22.5
occ:0.49
 CL1 A:H0D901 0.0 22.5 0.5
C9 A:H0D901 1.8 21.6 0.5
C10 A:H0D901 2.7 21.7 0.5
C8 A:H0D901 2.8 21.2 0.5
O A:LEU620 3.3 12.4 1.0
N A:ARG624 3.6 14.1 0.5
CB A:ARG623 3.7 13.6 0.5
CB A:ARG624 3.8 14.4 0.5
CA A:ARG624 3.8 14.2 0.5
C11 A:H0D901 4.0 22.0 0.5
C A:ARG623 4.0 13.1 0.5
C7 A:H0D901 4.0 21.6 0.5
C A:LEU620 4.2 12.0 1.0
NH2 A:ARG623 4.3 17.8 0.5
CZ A:ARG623 4.3 17.4 0.5
CD2 A:LEU620 4.4 20.0 1.0
CA A:LEU620 4.4 11.7 1.0
CA A:ARG623 4.5 13.3 0.5
C6 A:H0D901 4.5 22.5 0.5
NE A:ARG624 4.5 16.4 0.5
CG A:ARG624 4.5 15.1 0.5
NE A:ARG623 4.6 17.1 0.5
NH2 A:ARG624 4.7 17.8 0.5
CZ A:ARG624 4.7 17.2 0.5
NH1 A:ARG623 4.7 18.8 0.5
O A:ARG623 4.7 13.2 0.5
CB A:LEU620 4.8 13.0 1.0
CD A:ARG623 4.9 15.6 0.5
CG A:ARG623 4.9 14.4 0.5

Chlorine binding site 2 out of 2 in 5rx4

Go back to Chlorine Binding Sites List in 5rx4
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 Z1593306637


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 Z1593306637 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:25.4
occ:0.72
 CL1 A:H0D902 0.0 25.4 0.7
C9 A:H0D902 1.8 25.3 0.7
C8 A:H0D902 2.7 26.2 0.7
C10 A:H0D902 2.8 26.2 0.7
CA A:GLU498 3.5 19.9 1.0
CB A:LYS477 3.7 17.5 1.0
CG2 A:VAL479 3.8 13.9 1.0
CB A:GLU498 3.9 21.9 1.0
C7 A:H0D902 4.0 28.1 0.7
C11 A:H0D902 4.0 27.5 0.7
N A:GLU498 4.1 18.4 1.0
CB A:ALA493 4.1 13.2 1.0
CG A:GLU498 4.1 27.2 1.0
CD1 A:ILE501 4.2 18.9 1.0
CG A:LYS477 4.3 20.1 1.0
C A:HIS497 4.4 16.5 1.0
O A:HIS497 4.5 16.6 1.0
C6 A:H0D902 4.5 29.3 0.7
O A:GLU498 4.5 22.7 1.0
C A:GLU498 4.6 20.0 1.0
O A:LYS494 4.6 15.2 0.2
O A:LYS494 4.6 15.2 0.2
CB A:ILE501 4.7 15.1 1.0
O A:LYS494 4.8 13.9 0.3
O A:LYS477 4.9 14.3 1.0
O A:ALA493 4.9 14.0 1.0
CG2 A:ILE501 5.0 16.2 1.0
CG1 A:ILE501 5.0 15.9 1.0
CB A:VAL479 5.0 13.6 1.0
C A:LYS477 5.0 14.6 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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