Chlorine in PDB 3zjd: A20 Otu Domain in Reduced, Active State at 1.87 A Resolution

All present enzymatic activity of A20 Otu Domain in Reduced, Active State at 1.87 A Resolution:
3.4.19.12;

The structure of A20 Otu Domain in Reduced, Active State at 1.87 A Resolution, PDB code: 3zjd was solved by Y.Kulathu, F.J.Garcia, T.E.T.Mevissen, M.Busch, N.Arnaudo, K.S.Carroll, D.Barford, D.Komander, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.292 / 1.87
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.690, 68.970, 84.300, 99.04, 100.09, 96.95
R / Rfree (%)	18.17 / 21.68

The binding sites of Chlorine atom in the A20 Otu Domain in Reduced, Active State at 1.87 A Resolution (pdb code 3zjd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the A20 Otu Domain in Reduced, Active State at 1.87 A Resolution, PDB code: 3zjd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the A20 Otu Domain in Reduced, Active State at 1.87 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A20 Otu Domain in Reduced, Active State at 1.87 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1357 b:35.5 occ:1.00 O A:HOH2098 3.0 24.5 1.0 N A:LYS287 3.3 19.4 1.0 O A:GLY230 3.4 21.4 1.0 C A:GLY230 3.4 14.6 1.0 N A:GLY231 3.6 13.8 1.0 O A:HOH2093 3.6 23.3 1.0 CA A:GLY231 3.7 19.1 1.0 CA A:LEU286 3.8 16.6 1.0 CB A:LYS287 3.9 26.5 1.0 CB A:LEU286 4.0 19.1 1.0 C A:LEU286 4.0 21.5 1.0 NZ A:LYS213 4.0 53.0 1.0 CA A:GLY230 4.1 16.6 1.0 CA A:LYS287 4.2 21.0 1.0 ND2 A:ASN277 4.4 24.2 0.5 CD2 A:LEU286 4.5 24.1 1.0 CG A:LEU286 4.7 25.7 1.0 O A:LYS287 4.9 22.8 1.0 CE A:LYS213 4.9 57.4 1.0 O A:ASP285 4.9 25.5 1.0 O A:LEU227 4.9 29.7 1.0

Chlorine binding site 2 out of 5 in the A20 Otu Domain in Reduced, Active State at 1.87 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A20 Otu Domain in Reduced, Active State at 1.87 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1358 b:26.4 occ:1.00 O B:HOH2039 3.0 23.6 1.0 NH2 B:ARG278 3.2 23.2 1.0 N B:ARG87 3.3 19.0 1.0 O B:HOH2032 3.5 36.6 1.0 CA B:CYS86 3.6 17.8 1.0 C B:CYS86 3.9 18.5 1.0 SG B:CYS86 4.0 20.5 1.0 CZ3 B:TRP85 4.0 17.7 1.0 NH2 B:ARG87 4.0 61.4 1.0 O B:TRP85 4.1 19.0 1.0 CB B:ARG87 4.2 28.0 1.0 CB B:VAL314 4.3 23.0 1.0 CA B:ARG87 4.3 22.4 1.0 CZ B:ARG278 4.3 25.0 1.0 CE3 B:TRP85 4.3 18.6 1.0 CZ B:ARG87 4.4 64.8 1.0 NE B:ARG87 4.4 68.4 1.0 CB B:CYS86 4.4 19.5 1.0 NE B:ARG278 4.5 22.2 1.0 N B:GLN315 4.7 19.8 1.0 N B:GLU88 4.7 21.2 1.0 N B:CYS86 4.8 17.1 1.0 CG1 B:VAL314 4.8 23.2 1.0 CG B:ARG87 4.8 36.6 1.0 C B:TRP85 4.8 19.3 1.0 CG B:GLU88 4.9 18.0 1.0 OE2 B:GLU88 4.9 27.4 1.0

Chlorine binding site 3 out of 5 in the A20 Otu Domain in Reduced, Active State at 1.87 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A20 Otu Domain in Reduced, Active State at 1.87 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1359 b:21.8 occ:1.00 NE1 B:TRP317 3.2 23.5 1.0 N B:GLY281 3.3 24.3 1.0 N B:ARG280 3.8 27.0 1.0 CA B:GLY281 4.0 24.4 1.0 CB B:ARG278 4.0 23.5 1.0 CE2 B:TRP317 4.0 21.8 1.0 CD1 B:TRP317 4.1 24.2 1.0 CA B:ARG280 4.2 28.6 1.0 C B:ARG280 4.2 26.9 1.0 O B:HOH2086 4.3 43.0 1.0 CZ2 B:TRP317 4.3 25.9 1.0 C B:ASP279 4.5 27.5 1.0 N B:ASP279 4.5 23.3 1.0 C B:ARG278 4.7 23.9 1.0 CD B:ARG278 4.7 20.6 1.0 CA B:ASP279 4.8 29.5 1.0 CG B:ARG278 4.9 21.2 1.0 CA B:ARG278 4.9 21.9 1.0 C B:GLY281 5.0 27.4 1.0

Chlorine binding site 4 out of 5 in the A20 Otu Domain in Reduced, Active State at 1.87 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of A20 Otu Domain in Reduced, Active State at 1.87 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1360 b:25.4 occ:1.00 NE2 B:HIS323 3.1 40.5 1.0 N B:TRP317 3.2 23.6 1.0 N B:ASP318 3.3 29.3 1.0 CA B:GLY316 3.7 22.4 1.0 CE1 B:HIS323 3.8 43.9 1.0 CB B:ASP318 3.8 29.8 1.0 C B:GLY316 3.9 26.9 1.0 CE3 B:TRP317 3.9 27.1 1.0 CB B:THR321 4.0 44.4 1.0 CA B:TRP317 4.1 24.8 1.0 CG2 B:THR321 4.2 43.1 1.0 CB B:TRP317 4.2 25.1 1.0 CA B:ASP318 4.2 28.8 1.0 C B:TRP317 4.2 26.3 1.0 CD2 B:HIS323 4.2 35.1 1.0 OG1 B:THR321 4.5 46.6 1.0 O B:ASP318 4.5 29.2 1.0 CD2 B:TRP317 4.7 22.6 1.0 CZ3 B:TRP317 4.8 23.3 1.0 C B:ASP318 4.8 32.7 1.0 CG B:TRP317 4.9 23.8 1.0 O B:GLY316 5.0 25.5 1.0

Chlorine binding site 5 out of 5 in the A20 Otu Domain in Reduced, Active State at 1.87 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of A20 Otu Domain in Reduced, Active State at 1.87 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1361 b:41.5 occ:1.00 O B:HOH2016 3.0 34.8 1.0 NE B:ARG45 3.1 36.0 1.0 O B:CYS243 3.5 35.4 1.0 CA B:TYR244 3.7 25.2 1.0 C B:CYS243 3.7 33.8 1.0 CD1 B:TYR244 3.8 27.8 1.0 N B:TYR244 3.8 33.0 1.0 CD B:ARG45 3.9 36.0 1.0 NH2 B:ARG45 4.0 40.8 1.0 CZ B:ARG45 4.0 38.4 1.0 O B:HOH2077 4.2 30.8 1.0 CB B:TYR244 4.2 24.9 1.0 CG B:ARG45 4.4 40.7 1.0 CG B:TYR244 4.5 23.8 1.0 CA B:CYS243 4.7 30.1 1.0 CE1 B:TYR244 4.7 31.0 1.0 NE2 B:HIS44 4.8 26.9 1.0 N B:CYS243 4.9 31.6 1.0 O B:GLU242 4.9 36.3 1.0 O B:HOH2074 4.9 46.8 1.0 C B:TYR244 5.0 25.9 1.0

Y.Kulathu, F.J.Garcia, T.E.T.Mevissen, M.Busch, N.Arnaudo, K.S.Carroll, D.Barford, D.Komander. Regulation of A20 and Other Otu Deubiquitinases By Reversible Oxidation Nat.Commun. V. 4 1569 2013.
ISSN: ISSN 2041-1723
PubMed: 23463012
DOI: 10.1038/NCOMMS2567