Atomistry » Bromine » PDB 7gpv-7jut » 7h7x
Atomistry »
  Bromine »
    PDB 7gpv-7jut »
      7h7x »

Bromine in PDB 7h7x: Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091)

Enzymatic activity of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091)

All present enzymatic activity of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091):
3.1.3.84;

Protein crystallography data

The structure of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091), PDB code: 7h7x was solved by J.C.Aschenbrenner, M.Fairhead, A.S.Godoy, B.H.Balcomb, E.Capkin, A.V.Chandran, I.Dolci, M.Golding, L.Koekemoer, R.M.Lithgo, P.G.Marples, X.Ni, G.Oliva, W.Thompson, C.W.E.Tomlinson, C.Wild, M.Winokan, M.-A.E.Xavier, D.Fearon, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 75.55 / 1.46
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 87.241, 87.241, 85.302, 90, 90, 120
R / Rfree (%) 18.6 / 22.1

Other elements in 7h7x:

The structure of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091) also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091) (pdb code 7h7x). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091), PDB code: 7h7x:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 7h7x

Go back to Bromine Binding Sites List in 7h7x
Bromine binding site 1 out of 3 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br206

b:55.0
occ:0.62
 BR C:UUS206 0.0 55.0 0.6
C5 C:UUS206 1.9 37.9 0.6
C6 C:UUS206 2.8 35.6 0.6
C4 C:UUS206 2.8 35.1 0.6
O C:HOH429 3.6 51.9 0.6
NH1 C:ARG144 3.9 31.9 0.3
C3 C:UUS206 4.1 31.5 0.6
C C:UUS206 4.1 33.1 0.6
CZ C:ARG144 4.4 30.4 0.3
NE C:ARG144 4.4 29.8 0.3
NE1 C:TRP148 4.5 44.7 1.0
N C:UUS206 4.6 29.8 0.6
CE2 C:TRP148 4.7 38.0 1.0
CZ2 C:TRP148 4.9 35.8 1.0

Bromine binding site 2 out of 3 in 7h7x

Go back to Bromine Binding Sites List in 7h7x
Bromine binding site 2 out of 3 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br206

b:72.6
occ:0.28
 BR D:UUS206 0.0 72.6 0.3
BR D:UUS206 0.5 107.2 0.3
C5 D:UUS206 1.9 54.4 0.3
C5 D:UUS206 2.2 90.0 0.3
C6 D:UUS206 2.8 52.3 0.3
C4 D:UUS206 2.8 50.4 0.3
C6 D:UUS206 2.9 87.7 0.3
C4 D:UUS206 3.3 86.8 0.3
O D:HOH330 3.8 37.9 0.6
NE1 D:TRP148 3.8 40.5 0.6
CZ2 D:TRP148 3.9 39.8 0.6
CE2 D:TRP148 4.0 40.8 0.6
C3 D:UUS206 4.1 48.2 0.3
O D:HOH427 4.1 46.5 0.6
C D:UUS206 4.2 49.6 0.3
C D:UUS206 4.3 85.7 0.3
C3 D:UUS206 4.5 84.0 0.3
N D:UUS206 4.6 47.3 0.3
CD1 D:TRP148 4.7 41.2 0.6
O D:THR111 4.8 29.4 1.0
CH2 D:TRP148 4.8 40.2 0.6
N D:UUS206 4.9 82.7 0.3
CD2 D:TRP148 4.9 40.0 0.6

Bromine binding site 3 out of 3 in 7h7x

Go back to Bromine Binding Sites List in 7h7x
Bromine binding site 3 out of 3 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Ncl-00024672 (CHIKV_MACB-X1091) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br206

b:107.2
occ:0.34
 BR D:UUS206 0.0 107.2 0.3
BR D:UUS206 0.5 72.6 0.3
C5 D:UUS206 1.6 54.4 0.3
C5 D:UUS206 1.9 90.0 0.3
C6 D:UUS206 2.4 52.3 0.3
C4 D:UUS206 2.8 50.4 0.3
C6 D:UUS206 2.8 87.7 0.3
C4 D:UUS206 2.8 86.8 0.3
NE1 D:TRP148 3.4 40.5 0.6
CE2 D:TRP148 3.6 40.8 0.6
CZ2 D:TRP148 3.7 39.8 0.6
C D:UUS206 3.8 49.6 0.3
C3 D:UUS206 3.9 48.2 0.3
O D:HOH427 4.0 46.5 0.6
C3 D:UUS206 4.1 84.0 0.3
C D:UUS206 4.1 85.7 0.3
CD1 D:TRP148 4.2 41.2 0.6
O D:HOH330 4.2 37.9 0.6
N D:UUS206 4.3 47.3 0.3
CD2 D:TRP148 4.5 40.0 0.6
N D:UUS206 4.6 82.7 0.3
CH2 D:TRP148 4.7 40.2 0.6
O D:UUS206 4.7 49.4 0.3
CG D:TRP148 4.8 40.0 0.6

Reference:

J.C.Aschenbrenner, M.Fairhead, A.S.Godoy, B.H.Balcomb, E.Capkin, A.V.Chandran, I.Dolci, M.Golding, L.Koekemoer, R.M.Lithgo, P.G.Marples, X.Ni, G.Oliva, W.Thompson, C.W.E.Tomlinson, C.Wild, M.Winokan, M.-A.E.Xavier, D.Fearon, F.Von Delft. Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain To Be Published.
Page generated: Thu Jul 11 03:58:53 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy