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Chlorine in PDB 5qid: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869

Enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869

All present enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869:
1.1.3.15;

Protein crystallography data

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869, PDB code: 5qid was solved by S.Mackinnon, G.A.Bezerra, T.Krojer, A.R.Bradley, R.Talon, J.Brandao-Neto, A.Douangamath, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, U.Oppermann, P.E.Brennan, W.W.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.93 / 1.45
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 97.487, 97.487, 80.388, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 19.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869 (pdb code 5qid). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869, PDB code: 5qid:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5qid

Go back to Chlorine Binding Sites List in 5qid
Chlorine binding site 1 out of 2 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:24.0
occ:0.24
CL A:GWY402 0.0 24.0 0.2
CL A:GWY402 0.0 24.0 0.2
NH1 A:ARG341 1.1 20.6 0.3
NH1 A:ARG341 1.1 20.6 0.3
CZ A:ARG341 1.4 20.0 0.3
CZ A:ARG341 1.4 20.0 0.3
C9 A:GWY402 1.7 24.3 0.2
C9 A:GWY402 1.7 24.3 0.2
NH2 A:ARG341 1.9 20.1 0.3
NH2 A:ARG341 1.9 20.1 0.3
NE A:ARG341 2.5 18.2 0.3
NE A:ARG341 2.5 18.2 0.3
C8 A:GWY402 2.7 24.1 0.2
C8 A:GWY402 2.7 24.1 0.2
C6 A:GWY402 2.9 24.3 0.2
C6 A:GWY402 2.9 24.3 0.2
C1 A:GWY402 3.3 25.3 0.2
C1 A:GWY402 3.3 25.3 0.2
C2 A:GWY402 3.3 25.9 0.2
C2 A:GWY402 3.3 25.9 0.2
CD A:ARG341 3.4 16.5 0.3
CD A:ARG341 3.4 16.5 0.3
N A:GWY402 3.4 25.6 0.2
N A:GWY402 3.4 25.6 0.2
C3 A:GWY402 3.6 26.0 0.2
C3 A:GWY402 3.6 26.0 0.2
O A:HOH590 3.6 18.2 0.2
O A:HOH590 3.6 18.2 0.2
O A:HOH529 3.7 36.9 0.5
O A:HOH529 3.7 36.9 0.5
CG A:ARG341 3.7 15.1 0.3
CG A:ARG341 3.7 15.1 0.3
CG A:ARG341 3.8 15.7 0.2
CG A:ARG341 3.8 15.7 0.2
CA A:LEU342 3.8 11.6 1.0
N2 A:GWY402 4.0 24.0 0.2
N2 A:GWY402 4.0 24.0 0.2
O A:ARG341 4.0 11.8 0.2
O A:ARG341 4.0 11.8 0.2
CD1 A:LEU342 4.0 12.4 1.0
N A:LEU342 4.0 11.5 1.0
CB A:ALA345 4.1 14.4 1.0
C A:ARG341 4.1 12.7 0.2
C A:ARG341 4.1 12.7 0.2
O A:ARG341 4.1 11.7 0.3
O A:ARG341 4.1 11.7 0.3
N1 A:GWY402 4.1 25.1 0.2
N1 A:GWY402 4.1 25.1 0.2
NE A:ARG341 4.1 20.1 0.2
NE A:ARG341 4.1 20.1 0.2
C A:ARG341 4.2 12.5 0.3
C A:ARG341 4.2 12.5 0.3
CB A:LEU342 4.3 11.4 1.0
CD A:ARG341 4.3 17.1 0.2
CD A:ARG341 4.3 17.1 0.2
CB A:ARG341 4.5 14.1 0.3
CB A:ARG341 4.5 14.1 0.3
C7 A:GWY402 4.5 24.2 0.2
C7 A:GWY402 4.5 24.2 0.2
CB A:ARG341 4.6 14.4 0.2
CB A:ARG341 4.6 14.4 0.2
OE2 A:GLU338 4.6 22.3 0.3
OE2 A:GLU338 4.6 22.3 0.3
C4 A:GWY402 4.8 26.2 0.2
C4 A:GWY402 4.8 26.2 0.2
C5 A:GWY402 4.8 26.4 0.2
C5 A:GWY402 4.8 26.4 0.2
C A:GWY402 4.8 25.6 0.2
C A:GWY402 4.8 25.6 0.2
CZ A:ARG341 4.8 22.8 0.2
CZ A:ARG341 4.8 22.8 0.2
CG A:LEU342 4.9 11.8 1.0
CA A:ARG341 5.0 12.5 0.3
CA A:ARG341 5.0 12.5 0.3

Chlorine binding site 2 out of 2 in 5qid

Go back to Chlorine Binding Sites List in 5qid
Chlorine binding site 2 out of 2 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of HAO1 in Complex with Z1787627869 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:24.0
occ:0.24
CL A:GWY402 0.0 24.0 0.2
CL A:GWY402 0.0 24.0 0.2
NH1 A:ARG341 1.1 20.6 0.3
NH1 A:ARG341 1.1 20.6 0.3
CZ A:ARG341 1.4 20.0 0.3
CZ A:ARG341 1.4 20.0 0.3
C9 A:GWY402 1.7 24.3 0.2
C9 A:GWY402 1.7 24.3 0.2
NH2 A:ARG341 1.9 20.1 0.3
NH2 A:ARG341 1.9 20.1 0.3
NE A:ARG341 2.5 18.2 0.3
NE A:ARG341 2.5 18.2 0.3
C8 A:GWY402 2.7 24.1 0.2
C8 A:GWY402 2.7 24.1 0.2
C6 A:GWY402 2.9 24.3 0.2
C6 A:GWY402 2.9 24.3 0.2
C1 A:GWY402 3.3 25.3 0.2
C1 A:GWY402 3.3 25.3 0.2
C2 A:GWY402 3.3 25.9 0.2
C2 A:GWY402 3.3 25.9 0.2
CD A:ARG341 3.4 16.5 0.3
CD A:ARG341 3.4 16.5 0.3
N A:GWY402 3.4 25.6 0.2
N A:GWY402 3.4 25.6 0.2
C3 A:GWY402 3.6 26.0 0.2
C3 A:GWY402 3.6 26.0 0.2
O A:HOH590 3.6 18.2 0.2
O A:HOH590 3.6 18.2 0.2
O A:HOH529 3.7 36.9 0.5
O A:HOH529 3.7 36.9 0.5
CG A:ARG341 3.7 15.1 0.3
CG A:ARG341 3.7 15.1 0.3
CG A:ARG341 3.8 15.7 0.2
CG A:ARG341 3.8 15.7 0.2
CA A:LEU342 3.8 11.6 1.0
N2 A:GWY402 4.0 24.0 0.2
N2 A:GWY402 4.0 24.0 0.2
O A:ARG341 4.0 11.8 0.2
O A:ARG341 4.0 11.8 0.2
CD1 A:LEU342 4.0 12.4 1.0
N A:LEU342 4.0 11.5 1.0
CB A:ALA345 4.1 14.4 1.0
C A:ARG341 4.1 12.7 0.2
C A:ARG341 4.1 12.7 0.2
O A:ARG341 4.1 11.7 0.3
O A:ARG341 4.1 11.7 0.3
N1 A:GWY402 4.1 25.1 0.2
N1 A:GWY402 4.1 25.1 0.2
NE A:ARG341 4.1 20.1 0.2
NE A:ARG341 4.1 20.1 0.2
C A:ARG341 4.2 12.5 0.3
C A:ARG341 4.2 12.5 0.3
CB A:LEU342 4.3 11.4 1.0
CD A:ARG341 4.3 17.1 0.2
CD A:ARG341 4.3 17.1 0.2
CB A:ARG341 4.5 14.1 0.3
CB A:ARG341 4.5 14.1 0.3
C7 A:GWY402 4.5 24.2 0.2
C7 A:GWY402 4.5 24.2 0.2
CB A:ARG341 4.6 14.4 0.2
CB A:ARG341 4.6 14.4 0.2
OE2 A:GLU338 4.6 22.3 0.3
OE2 A:GLU338 4.6 22.3 0.3
C4 A:GWY402 4.8 26.2 0.2
C4 A:GWY402 4.8 26.2 0.2
C5 A:GWY402 4.8 26.4 0.2
C5 A:GWY402 4.8 26.4 0.2
C A:GWY402 4.8 25.6 0.2
C A:GWY402 4.8 25.6 0.2
CZ A:ARG341 4.8 22.8 0.2
CZ A:ARG341 4.8 22.8 0.2
CG A:LEU342 4.9 11.8 1.0
CA A:ARG341 5.0 12.5 0.3
CA A:ARG341 5.0 12.5 0.3

Reference:

S.Mackinnon, G.A.Bezerra, T.Krojer, A.R.Bradley, R.Talon, J.Brandao-Neto, A.Douangamath, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, U.Oppermann, P.E.Brennan, W.W.Yue. Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) To Be Published.
Page generated: Fri Jul 26 15:45:41 2024

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