Atomistry » Chlorine » PDB 5pb3-5q29 » 5pwc
Atomistry »
  Chlorine »
    PDB 5pb3-5q29 »
      5pwc »

Chlorine in PDB 5pwc: Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B, PDB code: 5pwc was solved by N.M.Pearce, T.Krojer, R.Talon, A.R.Bradley, M.Fairhead, R.Sethi, N.Wright, E.Maclean, P.Collins, J.Brandao-Neto, A.Douangamath, Z.Renjie, A.Dias, J.Ng, P.E.Brennan, O.Cox, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.44 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 127.740, 45.415, 83.292, 90.00, 102.23, 90.00
R / Rfree (%) 18 / 21

Other elements in 5pwc:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B (pdb code 5pwc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B, PDB code: 5pwc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5pwc

Go back to Chlorine Binding Sites List in 5pwc
Chlorine binding site 1 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B


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 -- Crystal Structure of SP100 in Complex with E48115B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl906

b:38.4
occ:0.49
CL A:W77906 0.0 38.4 0.5
O A:HOH1250 0.4 43.8 0.5
C11 A:W77906 1.7 35.5 0.5
O A:HOH1081 2.2 35.0 0.5
C10 A:W77906 2.7 33.3 0.5
C6 A:W77906 2.7 39.7 0.5
H10 A:W77906 2.8 40.0 0.5
O A:W77906 2.8 45.9 0.5
C5 A:W77906 3.1 43.6 0.5
O A:HOH1244 3.4 43.4 0.5
CG A:ASN816 3.6 21.2 1.0
CB A:ASN816 3.7 16.7 1.0
O A:HOH1084 3.8 33.5 1.0
OD1 A:ASN816 3.8 21.6 1.0
C9 A:W77906 4.0 32.5 0.5
ND2 A:ASN816 4.0 20.8 1.0
C7 A:W77906 4.0 39.1 0.5
CD A:LYS819 4.2 23.4 1.0
CA A:ASN816 4.4 15.8 1.0
N1 A:W77906 4.4 41.9 0.5
O A:ASN816 4.4 16.4 1.0
C8 A:W77906 4.5 36.9 0.5
H7 A:W77906 4.8 47.0 0.5
HN1 A:W77906 4.8 50.3 0.5
OG1 A:THR820 4.9 22.4 1.0
C A:ASN816 4.9 12.9 1.0

Chlorine binding site 2 out of 5 in 5pwc

Go back to Chlorine Binding Sites List in 5pwc
Chlorine binding site 2 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B


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 -- Crystal Structure of SP100 in Complex with E48115B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl906

b:30.4
occ:0.49
CL1 A:W77906 0.0 30.4 0.5
O A:HOH1237 1.3 29.3 0.5
C9 A:W77906 1.7 32.5 0.5
C10 A:W77906 2.7 33.3 0.5
C8 A:W77906 2.7 36.9 0.5
H10 A:W77906 2.8 40.0 0.5
H8 A:W77906 2.8 44.3 0.5
CB A:ASN823 3.5 23.6 1.0
O A:HOH1235 3.6 24.4 1.0
O A:HOH1014 3.7 48.2 1.0
O A:HOH1081 3.7 35.0 0.5
CG A:ASN823 3.8 30.9 1.0
CG A:LYS819 3.8 18.3 1.0
O A:LYS819 3.8 17.1 1.0
O A:HOH1215 3.9 48.7 1.0
OD1 A:ASN823 3.9 39.4 1.0
CA A:THR820 3.9 18.8 1.0
C7 A:W77906 4.0 39.1 0.5
C11 A:W77906 4.0 35.5 0.5
C A:LYS819 4.1 13.7 1.0
OG1 A:THR820 4.1 22.4 1.0
N A:THR820 4.1 16.1 1.0
O A:HOH1036 4.2 32.5 0.5
CD A:LYS819 4.3 23.4 1.0
C6 A:W77906 4.5 39.7 0.5
O A:HOH1119 4.5 29.8 1.0
ND2 A:ASN823 4.5 25.5 1.0
O A:HOH1151 4.6 21.7 1.0
CB A:THR820 4.6 22.8 1.0
H7 A:W77906 4.7 47.0 0.5
CB A:LYS819 4.7 15.8 1.0
O A:HOH1244 4.9 43.4 0.5
CA A:ASN823 4.9 19.7 1.0
C A:THR820 5.0 17.6 1.0

Chlorine binding site 3 out of 5 in 5pwc

Go back to Chlorine Binding Sites List in 5pwc
Chlorine binding site 3 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl904

b:39.4
occ:0.40
CL B:W77904 0.0 39.4 0.4
O B:HOH1096 1.4 24.1 0.6
O B:HOH1209 1.5 42.2 0.6
C11 B:W77904 1.7 37.6 0.4
C10 B:W77904 2.7 36.3 0.4
C6 B:W77904 2.7 38.9 0.4
H10 B:W77904 2.7 43.6 0.4
O B:W77904 2.8 41.2 0.4
O B:HOH1192 3.1 41.9 0.6
C5 B:W77904 3.1 39.9 0.4
O B:HOH1172 3.3 42.4 0.6
CB B:ASN816 3.6 15.9 1.0
CG B:ASN816 3.7 19.5 1.0
O B:HOH1189 3.8 38.5 0.6
O B:HOH1064 3.9 40.3 1.0
C9 B:W77904 4.0 33.7 0.4
OD1 B:ASN816 4.0 20.4 1.0
C7 B:W77904 4.0 37.2 0.4
O B:ASN816 4.1 18.0 1.0
ND2 B:ASN816 4.1 18.8 1.0
CA B:ASN816 4.2 16.8 1.0
CD B:LYS819 4.2 19.5 1.0
N1 B:W77904 4.4 39.6 0.4
OG1 B:THR820 4.5 21.8 1.0
C8 B:W77904 4.5 35.7 0.4
C B:ASN816 4.6 17.6 1.0
H7 B:W77904 4.8 44.6 0.4
HN1 B:W77904 4.8 47.6 0.4
CG B:LYS819 4.9 15.7 1.0
CB B:LYS819 5.0 15.3 1.0

Chlorine binding site 4 out of 5 in 5pwc

Go back to Chlorine Binding Sites List in 5pwc
Chlorine binding site 4 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl904

b:29.1
occ:0.40
CL1 B:W77904 0.0 29.1 0.4
O B:HOH1208 1.3 31.2 0.6
C9 B:W77904 1.7 33.7 0.4
O B:HOH1172 2.2 42.4 0.6
C8 B:W77904 2.7 35.7 0.4
C10 B:W77904 2.7 36.3 0.4
H8 B:W77904 2.8 42.8 0.4
H10 B:W77904 2.8 43.6 0.4
CB B:ASN823 3.3 21.1 1.0
O B:HOH1194 3.3 22.2 1.0
O B:HOH1171 3.4 38.2 0.4
O B:HOH1171 3.4 37.6 0.6
O B:LYS819 3.6 14.9 1.0
CG B:LYS819 3.7 15.7 1.0
CG B:ASN823 3.7 24.6 1.0
O B:HOH1123 3.8 45.9 1.0
C B:LYS819 4.0 12.0 1.0
OD1 B:ASN823 4.0 34.4 1.0
CA B:THR820 4.0 17.1 1.0
C7 B:W77904 4.0 37.2 0.4
C11 B:W77904 4.0 37.6 0.4
N B:THR820 4.1 14.8 1.0
O B:HOH1054 4.2 33.1 1.0
CD B:LYS819 4.2 19.5 1.0
O B:HOH1074 4.2 19.0 1.0
O B:HOH1002 4.3 32.3 0.6
OG1 B:THR820 4.4 21.8 1.0
O B:HOH1189 4.4 38.5 0.6
O B:HOH1113 4.4 27.7 1.0
ND2 B:ASN823 4.5 25.6 1.0
C6 B:W77904 4.5 38.9 0.4
O B:HOH1096 4.6 24.1 0.6
CB B:LYS819 4.6 15.3 1.0
CA B:ASN823 4.7 18.9 1.0
H7 B:W77904 4.7 44.6 0.4
CB B:THR820 4.8 16.1 1.0
CA B:LYS819 4.9 15.9 1.0
C B:THR820 5.0 16.1 1.0
N B:ASN823 5.0 17.7 1.0

Chlorine binding site 5 out of 5 in 5pwc

Go back to Chlorine Binding Sites List in 5pwc
Chlorine binding site 5 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Pandda Analysis Group Deposition -- Crystal Structure of SP100 in Complex with E48115B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl905

b:52.3
occ:0.97
O B:HOH1075 2.8 31.7 1.0
ND1 B:HIS844 2.8 22.2 1.0
O B:HOH1003 2.9 29.8 1.0
CE1 B:HIS844 3.7 21.5 1.0
CE2 B:TYR848 3.8 21.4 1.0
CG B:HIS844 3.9 20.6 1.0
CE1 B:PHE795 4.1 20.4 1.0
O B:PHE794 4.1 20.3 1.0
CB B:HIS844 4.2 19.0 1.0
O B:HOH1092 4.2 26.5 1.0
O B:HOH1082 4.3 37.8 1.0
CD1 B:PHE795 4.3 18.8 1.0
CA B:HIS844 4.5 19.5 1.0
O B:HOH1053 4.5 24.1 1.0
CD2 B:TYR848 4.6 20.2 1.0
OH B:TYR848 4.6 26.4 1.0
O B:HOH1090 4.6 22.3 1.0
CZ B:TYR848 4.7 23.3 1.0
OH B:TYR801 4.8 33.7 1.0
NE2 B:HIS844 4.9 21.6 1.0
CB B:PRO799 5.0 32.9 1.0
CZ B:PHE795 5.0 22.1 1.0
CD2 B:HIS844 5.0 21.2 1.0

Reference:

N.M.Pearce, T.Krojer, A.R.Bradley, P.Collins, R.P.Nowak, R.Talon, B.D.Marsden, S.Kelm, J.Shi, C.M.Deane, F.Von Delft. A Multi-Crystal Method For Extracting Obscured Crystallographic States From Conventionally Uninterpretable Electron Density. Nat Commun V. 8 15123 2017.
ISSN: ESSN 2041-1723
PubMed: 28436492
DOI: 10.1038/NCOMMS15123
Page generated: Sat Dec 12 12:15:19 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy