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Chlorine in PDB 4j5s: TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex

Protein crystallography data

The structure of TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex, PDB code: 4j5s was solved by M.J.Schellenberg, C.D.Appel, J.Krahn, R.S.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.95 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.375, 56.221, 73.788, 90.00, 94.47, 90.00
R / Rfree (%) 13.7 / 17.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex (pdb code 4j5s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex, PDB code: 4j5s:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4j5s

Go back to Chlorine Binding Sites List in 4j5s
Chlorine binding site 1 out of 4 in the TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:26.3
occ:1.00
OG A:SER38 3.1 24.1 1.0
O A:HOH487 3.1 31.2 0.6
N A:ARG42 3.2 23.9 1.0
N A:MET43 3.3 20.7 1.0
N A:SER38 3.4 17.2 1.0
N A:CYS41 3.7 21.9 0.5
CB A:SER38 3.8 21.8 1.0
N A:CYS41 3.8 21.6 0.5
O A:HOH499 3.8 41.8 1.0
CA A:CYS41 3.9 22.8 0.5
C A:CYS41 3.9 22.4 0.5
CA A:CYS41 3.9 22.3 0.5
C A:CYS41 4.0 23.2 0.5
CA A:ARG42 4.0 25.6 0.4
CA A:ARG42 4.0 25.5 0.4
CA A:SER38 4.0 20.0 1.0
CB A:ILE37 4.1 15.1 1.0
O A:SER38 4.1 19.3 1.0
CB A:ARG42 4.1 31.0 0.4
CB A:ARG42 4.1 31.0 0.4
CA A:MET43 4.1 17.2 1.0
C A:ARG42 4.2 22.7 1.0
C A:ILE37 4.4 14.8 1.0
CA A:ILE37 4.4 14.1 1.0
C A:SER38 4.4 19.1 1.0
CB A:ALA90 4.4 34.3 1.0
CG A:MET43 4.5 17.6 1.0
O A:HOH487 4.6 17.8 0.4
C A:ASP40 4.6 22.1 1.0
CB A:ASP40 4.7 27.6 1.0
CA A:ALA90 4.7 33.9 1.0
CG2 A:ILE37 4.8 16.6 1.0
O3'A A:ZZC201 4.8 26.2 1.0
O A:CYS41 4.9 23.0 0.5
C2'A A:ZZC201 4.9 28.0 1.0
CB A:MET43 5.0 17.9 1.0

Chlorine binding site 2 out of 4 in 4j5s

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Chlorine binding site 2 out of 4 in the TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:36.5
occ:1.00
O B:HOH374 3.0 27.6 0.5
OG B:SER38 3.2 31.4 1.0
N B:ARG42 3.2 29.4 1.0
N B:MET43 3.3 25.0 1.0
N B:SER38 3.3 20.8 1.0
N B:CYS41 3.7 27.5 0.3
N B:CYS41 3.8 26.4 0.7
CA B:CYS41 3.8 27.3 0.3
C B:CYS41 3.9 27.9 0.7
CA B:CYS41 3.9 25.4 0.7
CB B:ILE37 3.9 19.5 1.0
C B:CYS41 3.9 28.7 0.3
CB B:SER38 4.0 28.0 1.0
CA B:ARG42 4.0 30.8 0.6
CA B:ARG42 4.1 30.8 0.5
O B:SER38 4.1 21.9 1.0
CA B:SER38 4.1 23.8 1.0
CA B:MET43 4.2 23.3 1.0
C B:ARG42 4.2 29.3 1.0
CB B:ARG42 4.2 34.4 0.6
CA B:ILE37 4.2 19.1 1.0
C B:ILE37 4.3 19.9 1.0
CB B:ARG42 4.3 34.1 0.5
CG B:MET43 4.4 20.6 1.0
C B:SER38 4.5 23.2 1.0
CG2 B:ILE37 4.6 20.8 1.0
O B:HOH374 4.6 22.1 0.5
CB B:ALA90 4.7 43.2 1.0
CB B:ASP40 4.7 35.9 1.0
C B:ASP40 4.7 27.6 1.0
O3'A B:ZZC201 4.8 33.4 0.7
O B:CYS41 4.8 29.1 0.7
CG1 B:ILE37 4.9 19.0 1.0
CB B:MET43 4.9 20.6 1.0
O3'A B:ZZC201 5.0 28.4 0.3

Chlorine binding site 3 out of 4 in 4j5s

Go back to Chlorine Binding Sites List in 4j5s
Chlorine binding site 3 out of 4 in the TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:33.7
occ:1.00
OG C:SER38 3.1 33.0 1.0
N C:ARG42 3.2 31.3 1.0
N C:MET43 3.3 25.4 1.0
N C:SER38 3.4 27.2 1.0
O C:HOH400 3.6 49.7 1.0
N C:CYS41 3.8 31.2 1.0
CB C:SER38 3.9 30.2 1.0
CB C:ILE37 4.0 23.0 1.0
C C:CYS41 4.0 31.5 1.0
CA C:ARG42 4.0 33.3 1.0
CA C:CYS41 4.0 31.3 1.0
O C:SER38 4.0 26.6 1.0
CA C:SER38 4.1 27.4 1.0
CB C:ARG42 4.1 39.2 1.0
C C:ARG42 4.2 29.2 1.0
CA C:MET43 4.2 24.2 1.0
CA C:ILE37 4.3 24.0 1.0
C C:ILE37 4.3 26.2 1.0
C C:SER38 4.4 27.5 1.0
CB C:ALA90 4.4 44.7 1.0
CG C:MET43 4.5 23.1 1.0
CB C:ASP40 4.6 37.8 1.0
C C:ASP40 4.6 32.8 1.0
CA C:ALA90 4.6 44.7 1.0
O C:HOH386 4.7 37.3 1.0
CG2 C:ILE37 4.7 23.7 1.0
CB C:MET43 5.0 23.3 1.0
CG1 C:ILE37 5.0 22.5 1.0
O3'A C:ZZC201 5.0 33.7 0.7

Chlorine binding site 4 out of 4 in 4j5s

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Chlorine binding site 4 out of 4 in the TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of TARG1 (C6ORF130), Terminal Adp-Ribose Glycohydrolase 1 Adp-Ribose Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:29.2
occ:1.00
OG D:SER38 3.1 27.1 1.0
O D:HOH413 3.2 34.7 1.0
N D:ARG42 3.2 27.5 1.0
N D:SER38 3.4 22.2 1.0
N D:MET43 3.4 25.2 1.0
N D:CYS41 3.7 28.9 0.3
N D:CYS41 3.7 28.6 0.7
CB D:SER38 3.8 25.7 1.0
O D:HOH414 3.9 41.8 1.0
CA D:CYS41 3.9 28.7 0.3
C D:CYS41 3.9 28.4 0.7
CA D:CYS41 3.9 28.3 0.7
CA D:ARG42 4.0 29.9 1.0
C D:CYS41 4.0 28.4 0.3
CB D:ILE37 4.0 20.1 1.0
CB D:ARG42 4.0 36.6 1.0
CA D:SER38 4.1 23.8 1.0
O D:SER38 4.1 24.4 1.0
CB D:ALA90 4.2 33.5 1.0
C D:ARG42 4.2 26.6 1.0
CA D:MET43 4.3 23.3 1.0
CA D:ILE37 4.3 20.9 1.0
C D:ILE37 4.3 21.3 1.0
C D:SER38 4.4 24.1 1.0
CA D:ALA90 4.5 33.4 1.0
CG D:MET43 4.5 22.6 1.0
C D:ASP40 4.6 29.4 1.0
CB D:ASP40 4.6 33.5 1.0
CG2 D:ILE37 4.7 19.3 1.0
O D:CYS41 4.9 29.9 0.7
CG1 D:ILE37 5.0 20.0 1.0

Reference:

R.Sharifi, R.Morra, C.D.Appel, M.Tallis, B.Chioza, G.Jankevicius, M.A.Simpson, I.Matic, E.Ozkan, B.Golia, M.J.Schellenberg, R.Weston, J.G.Williams, M.N.Rossi, H.Galehdari, J.Krahn, A.Wan, R.C.Trembath, A.H.Crosby, D.Ahel, R.Hay, A.G.Ladurner, G.Timinszky, R.S.Williams, I.Ahel. Deficiency of Terminal Adp-Ribose Protein Glycohydrolase TARG1/C6ORF130 in Neurodegenerative Disease. Embo J. V. 32 1225 2013.
ISSN: ISSN 0261-4189
PubMed: 23481255
DOI: 10.1038/EMBOJ.2013.51
Page generated: Sat Dec 12 10:47:37 2020

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