Atomistry » Chlorine » PDB 7h8y-7i17 » 7h93
Atomistry »
  Chlorine »
    PDB 7h8y-7i17 »
      7h93 »

Chlorine in PDB 7h93: Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365)

Enzymatic activity of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365)

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 Z56889474 (CHIKV_MACB-X1365):
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 Z56889474 (CHIKV_MACB-X1365), PDB code: 7h93 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) 56.84 / 1.44
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 87.529, 87.529, 85.691, 90, 90, 120
R / Rfree (%) 18.9 / 22.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365) (pdb code 7h93). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine 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 Z56889474 (CHIKV_MACB-X1365), PDB code: 7h93:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 7h93

Go back to Chlorine Binding Sites List in 7h93
Chlorine binding site 1 out of 7 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 Z56889474 (CHIKV_MACB-X1365) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:22.4
occ:1.00
 O A:HOH377 3.2 17.9 0.6
N A:GLY112 3.3 22.8 1.0
N1 A:URA208 3.4 27.9 0.6
O A:DMS204 3.5 50.4 1.0
N A:TYR114 3.6 22.8 1.0
CB A:TYR114 3.7 19.1 1.0
S A:DMS204 3.7 62.4 1.0
CA A:GLY112 3.7 24.0 1.0
N A:VAL113 3.8 26.2 1.0
N A:SER110 3.8 16.7 1.0
CA A:SER110 3.8 17.2 1.0
N A:THR111 3.8 20.1 1.0
C A:GLY112 3.9 23.7 1.0
O A:HOH358 4.0 30.6 0.6
C A:SER110 4.1 20.3 1.0
C6 A:URA208 4.1 25.6 0.6
C1 A:DMS204 4.1 59.1 1.0
C2 A:URA208 4.2 25.7 0.6
CA A:TYR114 4.2 19.7 1.0
CG A:TYR114 4.2 19.4 1.0
O2 A:URA208 4.2 27.7 0.6
C A:THR111 4.5 23.1 1.0
CG2 A:VAL113 4.5 30.8 1.0
C A:VAL113 4.5 26.5 1.0
O A:GLY112 4.6 23.7 1.0
CD2 A:TYR114 4.7 18.6 1.0
CA A:VAL113 4.7 27.9 1.0
CA A:THR111 4.8 19.9 1.0
CD1 A:TYR114 4.8 20.8 1.0
C A:TYR114 4.9 18.5 1.0
C A:LEU109 4.9 16.8 1.0
O A:SER110 4.9 20.4 1.0

Chlorine binding site 2 out of 7 in 7h93

Go back to Chlorine Binding Sites List in 7h93
Chlorine binding site 2 out of 7 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 Z56889474 (CHIKV_MACB-X1365) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:39.5
occ:1.00
 NZ A:LYS13 2.9 43.6 1.0
N A:ASP10 3.4 19.8 1.0
CE A:LYS13 3.5 42.5 1.0
OH B:TYR38 3.8 49.3 1.0
CB A:MET9 3.8 23.6 1.0
CB A:ASP10 3.8 21.5 1.0
CA A:MET9 3.9 20.4 1.0
CD A:LYS13 4.2 39.7 1.0
C A:MET9 4.2 19.4 1.0
NH2 A:ARG144 4.2 34.8 0.4
CA A:ASP10 4.3 19.4 1.0
CB B:PRO42 4.3 20.9 0.6
CZ B:TYR38 4.5 43.5 1.0
O A:HOH307 4.6 35.2 0.6
CZ A:ARG144 4.7 33.7 0.4
CE2 B:TYR38 4.9 36.6 1.0
NE A:ARG144 5.0 33.9 0.4

Chlorine binding site 3 out of 7 in 7h93

Go back to Chlorine Binding Sites List in 7h93
Chlorine binding site 3 out of 7 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 Z56889474 (CHIKV_MACB-X1365) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:44.8
occ:1.00
 N B:ARG144 3.1 45.0 0.6
O B:DMS203 3.3 88.8 0.6
N B:ASP145 3.5 50.4 0.6
CB B:CYS143 3.7 37.8 1.0
CA B:CYS143 3.8 36.1 1.0
S B:DMS203 3.8 89.0 0.6
C1 B:DMS203 3.9 88.8 0.6
C B:CYS143 3.9 42.7 1.0
CA B:ARG144 4.0 48.6 0.6
CB B:ASP145 4.1 52.5 0.6
CB B:ARG144 4.2 50.1 0.6
CE3 B:TRP148 4.2 34.3 1.0
C B:ARG144 4.2 50.2 0.6
CD2 B:TRP148 4.4 36.2 1.0
CA B:ASP145 4.4 51.3 0.6
CB B:TRP148 4.4 41.9 1.0
CG B:TRP148 4.5 42.5 1.0
CG B:ARG144 4.7 52.2 0.6
CZ3 B:TRP148 4.9 32.6 1.0
C2 B:DMS201 5.0 63.7 1.0

Chlorine binding site 4 out of 7 in 7h93

Go back to Chlorine Binding Sites List in 7h93
Chlorine binding site 4 out of 7 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl205

b:21.0
occ:1.00
 N B:GLY112 3.3 23.3 1.0
O B:HOH359 3.4 19.4 0.6
N B:TYR114 3.5 20.6 1.0
CA B:GLY112 3.7 23.5 1.0
CB B:TYR114 3.7 17.8 1.0
N B:VAL113 3.7 23.7 1.0
O B:DMS201 3.8 68.6 1.0
N B:THR111 3.8 21.1 1.0
C B:GLY112 3.8 23.3 1.0
CA B:SER110 3.9 18.6 1.0
S B:DMS201 3.9 67.2 1.0
N B:SER110 3.9 18.4 1.0
C B:SER110 4.0 21.7 1.0
O B:HOH385 4.0 33.5 0.6
CA B:TYR114 4.2 20.1 1.0
CG B:TYR114 4.2 17.4 1.0
C B:THR111 4.4 25.0 1.0
C1 B:DMS202 4.4 60.9 0.6
C B:VAL113 4.5 24.5 1.0
O B:GLY112 4.5 23.4 1.0
CG2 B:VAL113 4.6 29.4 1.0
CA B:VAL113 4.6 23.9 1.0
CD2 B:TYR114 4.7 17.7 1.0
CA B:THR111 4.7 20.8 1.0
O B:HOH364 4.7 28.2 0.6
CD1 B:TYR114 4.8 18.3 1.0
O B:SER110 4.9 21.6 1.0
C B:TYR114 4.9 19.4 1.0

Chlorine binding site 5 out of 7 in 7h93

Go back to Chlorine Binding Sites List in 7h93
Chlorine binding site 5 out of 7 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:35.3
occ:1.00
 O C:HOH342 3.0 19.7 0.5
N C:GLY112 3.4 33.7 1.0
CB C:TYR114 3.5 30.8 1.0
N C:TYR114 3.6 34.1 1.0
O C:DMS201 3.6 80.2 1.0
N C:THR111 3.9 25.4 1.0
N C:VAL113 3.9 44.8 1.0
CA C:GLY112 3.9 38.6 1.0
S C:DMS201 3.9 101.1 1.0
N C:SER110 4.0 22.2 1.0
CA C:SER110 4.1 21.2 1.0
O C:HOH391 4.1 35.1 0.6
CG C:TYR114 4.1 31.6 1.0
C C:GLY112 4.1 38.3 1.0
C2 C:DMS201 4.1 98.8 1.0
CA C:TYR114 4.1 32.4 1.0
C C:SER110 4.3 23.5 1.0
C2 C:DMS204 4.3 122.8 0.5
CG2 C:VAL113 4.4 48.7 1.0
C C:THR111 4.5 31.8 1.0
S C:DMS204 4.5 123.7 0.5
C C:VAL113 4.6 40.4 1.0
CD2 C:TYR114 4.6 30.7 1.0
O C:DMS204 4.6 122.2 0.5
CA C:VAL113 4.7 46.5 1.0
CD1 C:TYR114 4.8 33.7 1.0
CA C:THR111 4.8 26.8 1.0
O C:GLY112 4.8 39.2 1.0
C C:TYR114 4.9 31.1 1.0

Chlorine binding site 6 out of 7 in 7h93

Go back to Chlorine Binding Sites List in 7h93
Chlorine binding site 6 out of 7 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl206

b:47.7
occ:1.00
 O D:HOH436 3.3 61.1 1.0
N D:ARG144 3.4 36.5 1.0
N D:ASP145 3.7 41.8 1.0
CB D:CYS143 3.8 32.7 1.0
CB D:ASP145 3.9 50.6 1.0
CB D:TRP148 3.9 36.7 1.0
CG D:TRP148 3.9 40.7 1.0
CD2 D:TRP148 4.0 41.3 1.0
CE3 D:TRP148 4.0 39.2 1.0
CA D:CYS143 4.1 30.9 1.0
C D:CYS143 4.2 33.0 1.0
CA D:ARG144 4.2 40.3 1.0
CB D:ARG144 4.4 46.1 1.0
C D:ARG144 4.4 41.9 1.0
CA D:ASP145 4.4 47.0 1.0
CD1 D:TRP148 4.7 44.5 1.0
CE2 D:TRP148 4.8 43.7 1.0
O D:HOH428 4.8 39.2 0.5
CZ3 D:TRP148 4.8 40.1 1.0

Chlorine binding site 7 out of 7 in 7h93

Go back to Chlorine Binding Sites List in 7h93
Chlorine binding site 7 out of 7 in the Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Group Deposition For Crystallographic Fragment Screening of Chikungunya Virus NSP3 Macrodomain -- Crystal Structure of Chikungunya Virus NSP3 Macrodomain in Complex with Z56889474 (CHIKV_MACB-X1365) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl207

b:24.6
occ:1.00
 O D:HOH377 3.1 17.7 0.5
N D:GLY112 3.4 27.7 1.0
N D:TYR114 3.6 23.2 1.0
C2 D:DMS201 3.7 31.4 0.5
CB D:TYR114 3.7 20.0 1.0
CA D:GLY112 3.7 29.1 1.0
S D:DMS201 3.8 33.8 0.5
N D:VAL113 3.8 26.7 1.0
N D:SER110 3.8 20.5 1.0
N D:THR111 3.8 23.8 1.0
CA D:SER110 3.9 21.8 1.0
C D:GLY112 3.9 29.7 1.0
O D:DMS201 4.0 33.5 0.5
C D:SER110 4.1 24.5 1.0
CG D:TYR114 4.2 18.6 1.0
CA D:TYR114 4.2 21.2 1.0
O D:HOH418 4.4 34.3 0.5
O D:HOH394 4.4 31.3 0.6
C D:THR111 4.5 30.1 1.0
C D:VAL113 4.6 24.3 1.0
C2 D:DMS204 4.6 45.6 0.5
C1 D:DMS204 4.6 46.7 0.5
CD2 D:TYR114 4.7 19.1 1.0
CG2 D:VAL113 4.7 34.0 1.0
O D:GLY112 4.7 28.9 1.0
CA D:VAL113 4.8 28.6 1.0
CA D:THR111 4.8 27.4 1.0
CD1 D:TYR114 4.8 20.9 1.0
C D:LEU109 4.9 20.4 1.0
C D:TYR114 4.9 22.9 1.0
O D:SER110 5.0 23.0 1.0

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: Sun Jul 13 02:42:37 2025

Last articles

Mn in 7LEZ
Mn in 7LEY
Mn in 7L3V
Mn in 7LAF
Mn in 7L3M
Mn in 7L6R
Mn in 7L36
Mn in 7KTM
Mn in 7L29
Mn in 7L28
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy