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Iodine in PDB 7gqn: Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250:
3.4.22.28;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250, PDB code: 7gqn was solved by R.M.Lithgo, M.Fairhead, L.Koekemoer, J.C.Aschenbrenner, B.H.Balcomb, A.S.Godoy, P.G.Marples, X.Ni, C.W.E.Tomlinson, W.Thompson, C.Wild, D.Fearon, M.A.Walsh, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.84 / 1.44
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.792, 62.797, 147.439, 90, 90, 90
R / Rfree (%) 19.6 / 21.2

Iodine Binding Sites:

The binding sites of Iodine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250 (pdb code 7gqn). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250, PDB code: 7gqn:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in 7gqn

Go back to Iodine Binding Sites List in 7gqn
Iodine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I201

b:72.7
occ:0.34
 I A:U0O201 0.0 72.7 0.3
C A:U0O201 2.1 46.4 0.3
N1 A:U0O201 3.0 47.6 0.3
C1 A:U0O201 3.1 47.1 0.3
CE1 A:PHE109 3.8 46.2 1.0
CD1 B:PHE4 3.9 38.5 1.0
CE1 B:PHE4 4.0 39.5 1.0
OD1 B:ASP99 4.0 60.5 1.0
C2 A:U0O201 4.1 45.4 0.3
N A:U0O201 4.2 45.0 0.3
CZ A:PHE109 4.2 48.8 1.0
O B:HOH383 4.4 30.0 1.0
N B:GLY1 4.6 65.6 1.0
CD1 A:PHE109 4.6 45.0 1.0
CE A:MET112 4.6 30.0 1.0
CB B:PRO115 4.7 24.0 1.0
CG B:PRO115 4.7 27.1 1.0
CG2 B:VAL101 4.8 19.5 1.0
NH1 A:ARG143 5.0 67.8 0.3

Iodine binding site 2 out of 3 in 7gqn

Go back to Iodine Binding Sites List in 7gqn
Iodine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I202

b:66.5
occ:0.34
 I A:U0O202 0.0 66.5 0.3
C A:U0O202 2.1 49.2 0.3
N1 A:U0O202 3.0 49.6 0.3
C1 A:U0O202 3.1 47.7 0.3
CB A:ARG143 3.6 56.9 0.3
CZ A:PHE140 3.6 32.8 0.3
C2 A:U0O201 3.6 45.4 0.3
CE2 A:PHE140 3.8 32.5 0.3
C2 A:U0O202 4.1 47.6 0.3
N A:U0O202 4.2 47.8 0.3
CG A:ARG143 4.2 59.5 0.3
N A:U0O201 4.3 45.0 0.3
N1 A:U0O201 4.5 47.6 0.3
O A:GLY145 4.6 50.0 0.3
O A:ARG143 4.7 54.5 0.3
CA A:ARG143 4.7 53.5 0.3
CE1 A:PHE140 4.9 32.6 0.3
N A:ARG143 4.9 51.5 0.3
CE2 A:PHE109 5.0 48.5 1.0

Iodine binding site 3 out of 3 in 7gqn

Go back to Iodine Binding Sites List in 7gqn
Iodine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Z1201621250 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I201

b:40.4
occ:0.16
 I B:U0O201 0.0 40.4 0.2
C B:U0O201 2.1 33.4 0.2
N1 B:U0O201 3.0 33.2 0.2
C1 B:U0O201 3.1 32.9 0.2
CA B:GLU21 4.0 30.6 1.0
C2 B:U0O201 4.1 30.7 0.2
N B:U0O201 4.2 30.6 0.2
CB B:GLU21 4.3 32.1 1.0
N B:GLU21 4.5 26.1 1.0
O B:HOH389 4.9 39.1 1.0

Reference:

R.M.Lithgo, M.Fairhead, L.Koekemoer, J.C.Aschenbrenner, B.H.Balcomb, A.S.Godoy, P.G.Marples, X.Ni, C.W.E.Tomlinson, W.Thompson, C.Wild, D.Fearon, M.A.Walsh, F.Von Delft. Pandda Analysis Group Deposition To Be Published.
Page generated: Mon Aug 12 01:10:17 2024

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