Atomistry » Iodine » PDB 7fgk-7lod » 7gpw
Atomistry »
  Iodine »
    PDB 7fgk-7lod »
      7gpw »

Iodine in PDB 7gpw: Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Ncl-00023824

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Ncl-00023824

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Ncl-00023824:
3.4.22.28;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Ncl-00023824, PDB code: 7gpw 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) 73.83 / 1.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.75, 62.233, 147.664, 90, 90, 90
R / Rfree (%) 19 / 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 Ncl-00023824 (pdb code 7gpw). 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 Ncl-00023824, PDB code: 7gpw:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in 7gpw

Go back to Iodine Binding Sites List in 7gpw
Iodine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Ncl-00023824


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 Ncl-00023824 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I201

b:28.9
occ:0.28
 I1 A:HHQ201 0.0 28.9 0.3
C3 A:HHQ201 2.0 24.0 0.3
C4 A:HHQ201 2.9 24.6 0.3
C2 A:HHQ201 2.9 24.1 0.3
OE1 A:GLN146 3.6 32.0 1.0
CE A:MET112 3.7 29.8 1.0
CB B:PRO115 3.8 27.7 1.0
CG B:PRO115 3.8 28.7 1.0
CE1 A:PHE109 4.0 38.3 1.0
C5 A:HHQ201 4.2 24.1 0.3
C1 A:HHQ201 4.2 22.8 0.3
CZ A:PHE109 4.3 37.3 1.0
SD A:MET112 4.5 32.9 1.0
CD A:ARG143 4.6 43.4 1.0
CD1 A:PHE109 4.6 36.9 1.0
N1 A:HHQ201 4.7 24.5 0.3
CE1 B:PHE4 4.7 40.8 1.0
CD A:GLN146 4.8 26.1 1.0
NH1 A:ARG143 4.9 51.8 1.0

Iodine binding site 2 out of 3 in 7gpw

Go back to Iodine Binding Sites List in 7gpw
Iodine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Ncl-00023824


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 Ncl-00023824 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I201

b:25.4
occ:0.34
 I1 B:HHQ201 0.0 25.4 0.3
C3 B:HHQ201 2.1 26.6 0.3
C2 B:HHQ201 3.0 27.1 0.3
O B:ILE46 3.0 21.4 1.0
C4 B:HHQ201 3.0 27.4 0.3
O B:HOH348 3.8 23.8 1.0
C B:ILE46 3.8 22.1 1.0
O B:HOH402 4.0 26.9 1.0
O B:HOH442 4.0 27.5 0.3
CE1 B:TYR48 4.2 35.5 1.0
C5 B:HHQ201 4.3 27.6 0.3
N B:GLU21 4.3 28.6 1.0
C1 B:HHQ201 4.3 26.8 0.3
CD1 B:TYR48 4.3 33.2 1.0
CA B:ILE47 4.3 21.8 1.0
O B:HOH449 4.3 33.9 1.0
O B:ARG19 4.3 20.3 1.0
CA B:THR20 4.3 21.1 1.0
C B:THR20 4.4 24.3 1.0
N B:ILE47 4.4 22.9 1.0
O B:HOH428 4.4 24.3 1.0
CB B:ILE46 4.6 30.0 1.0
N1 B:HHQ201 4.7 27.8 0.3
CG2 B:ILE46 4.8 33.0 1.0
CA B:ILE46 4.8 25.1 1.0
C B:ILE47 5.0 24.3 1.0

Iodine binding site 3 out of 3 in 7gpw

Go back to Iodine Binding Sites List in 7gpw
Iodine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Enterovirus D68 3C Protease in Complex with Ncl-00023824


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 Ncl-00023824 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I202

b:65.3
occ:0.44
 I1 B:HHQ202 0.0 65.3 0.4
C3 B:HHQ202 2.1 61.1 0.4
C2 B:HHQ202 3.0 60.0 0.4
C4 B:HHQ202 3.0 60.8 0.4
OH B:TYR31 3.3 33.7 1.0
O B:TYR178 3.7 22.3 1.0
CA B:PHE179 3.9 28.9 1.0
CD1 B:PHE179 4.1 23.6 1.0
C5 B:HHQ202 4.3 60.6 0.4
CE1 B:TYR31 4.3 28.3 1.0
CZ B:TYR31 4.3 30.8 1.0
CG1 B:VAL34 4.3 19.3 1.0
C1 B:HHQ202 4.3 60.1 0.4
CG2 B:ILE74 4.4 17.6 0.4
C B:PHE179 4.5 33.5 1.0
O B:PHE179 4.5 38.3 1.0
CB B:PHE179 4.6 25.7 1.0
C B:TYR178 4.7 23.7 1.0
N1 B:HHQ202 4.8 59.8 0.4
N B:PHE179 4.8 24.3 1.0
CG B:PHE179 4.8 24.6 1.0
CD1 B:ILE74 4.8 18.2 0.4
CG2 B:VAL34 4.8 22.1 1.0
CE1 B:PHE179 5.0 25.1 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 01:10:16 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy