Chlorine in PDB 8uq8: Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker

All present enzymatic activity of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker:
2.3.2.23; 2.3.2.24;

The structure of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker, PDB code: 8uq8 was solved by Q.Hu, M.V.Botuyan, G.Mer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.06 / 2.34
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	107.539, 107.539, 113.985, 90, 90, 120
R / Rfree (%)	19.6 / 23.6

The structure of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Sodium	(Na)	5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker (pdb code 8uq8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 21 binding sites of Chlorine where determined in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker, PDB code: 8uq8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4001 b:37.2 occ:1.00 H A:GLU87 2.5 48.4 1.0 HA A:TYR84 2.6 36.5 1.0 HB3 A:ARG86 2.7 56.2 1.0 H A:ARG86 2.7 45.3 1.0 HG2 A:GLU87 2.8 53.0 1.0 N A:GLU87 3.3 40.3 1.0 N A:ARG86 3.3 37.7 1.0 CA A:TYR84 3.3 30.4 1.0 C A:TYR84 3.3 32.0 1.0 HD2 A:PRO85 3.4 42.7 1.0 HB3 A:TYR84 3.4 36.4 1.0 CB A:ARG86 3.4 46.8 1.0 HD1 A:TYR84 3.6 38.0 1.0 HB2 A:ARG86 3.6 56.2 1.0 O A:TYR84 3.7 32.1 1.0 CG A:GLU87 3.7 44.2 1.0 N A:PRO85 3.7 34.3 1.0 CA A:ARG86 3.7 42.8 1.0 HB2 A:GLU87 3.8 41.7 1.0 CB A:TYR84 3.8 30.4 1.0 HG3 A:GLU87 3.9 53.0 1.0 CD A:PRO85 4.0 35.6 1.0 C A:ARG86 4.0 41.2 1.0 CB A:GLU87 4.1 34.8 1.0 C A:PRO85 4.3 37.2 1.0 CA A:GLU87 4.3 41.0 1.0 CD1 A:TYR84 4.3 31.7 1.0 HG2 A:PRO85 4.4 47.7 1.0 CA A:PRO85 4.6 29.9 1.0 CG A:TYR84 4.6 34.8 1.0 N A:TYR84 4.6 27.7 1.0 O A:HIS83 4.6 35.8 1.0 HB2 A:TYR84 4.6 36.4 1.0 HA A:ARG86 4.7 51.4 1.0 CG A:ARG86 4.7 56.1 1.0 HD3 A:PRO85 4.7 42.7 1.0 CG A:PRO85 4.7 39.7 1.0 HG2 A:ARG86 4.8 67.3 1.0 HA A:GLU87 4.8 49.1 1.0 H A:CYS88 4.8 46.8 1.0 CD A:GLU87 4.8 49.6 1.0 OE2 A:GLU87 4.9 58.8 1.0

Chlorine binding site 2 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4002 b:43.4 occ:1.00 H A:LEU3 2.2 57.9 1.0 HE2 A:HIS83 2.3 48.8 1.0 HZ1 A:LYS82 2.5 56.3 1.0 HA A:ALA2 2.9 65.5 1.0 N A:LEU3 3.0 48.2 1.0 NE2 A:HIS83 3.1 40.6 1.0 HD12 A:ILE79 3.2 54.5 1.0 HB2 A:LEU3 3.4 53.5 1.0 HD3 A:LYS82 3.4 42.6 1.0 NZ A:LYS82 3.4 46.9 1.0 HB1 A:ALA2 3.5 56.5 1.0 HG12 A:ILE8 3.6 43.3 1.0 CA A:ALA2 3.6 54.6 1.0 HD13 A:ILE79 3.7 54.5 1.0 CD1 A:ILE79 3.7 45.4 1.0 HG A:LEU3 3.8 55.2 1.0 HZ3 A:LYS82 3.8 56.3 1.0 HZ2 A:LYS82 3.8 56.3 1.0 HD11 A:ILE79 3.8 54.5 1.0 C A:ALA2 3.8 56.8 1.0 CA A:LEU3 4.0 42.2 1.0 CB A:LEU3 4.0 44.6 1.0 O A:LEU3 4.0 37.2 1.0 HE2 A:LYS82 4.0 49.6 1.0 CE1 A:HIS83 4.0 45.0 1.0 CB A:ALA2 4.0 47.0 1.0 HE1 A:HIS83 4.0 54.0 1.0 HD12 A:LEU3 4.0 48.0 1.0 CE A:LYS82 4.1 41.3 1.0 HD11 A:ILE8 4.1 45.8 1.0 CD A:LYS82 4.1 35.5 1.0 CD2 A:HIS83 4.1 35.4 1.0 HD2 A:HIS83 4.2 42.5 1.0 CG A:LEU3 4.3 46.0 1.0 HB2 A:ALA2 4.3 56.5 1.0 CG1 A:ILE8 4.4 36.1 1.0 C A:LEU3 4.4 36.8 1.0 HD2 A:LYS82 4.5 42.6 1.0 HG23 A:ILE79 4.6 36.5 1.0 CD1 A:ILE8 4.6 38.2 1.0 HG13 A:ILE8 4.7 43.3 1.0 CD1 A:LEU3 4.7 40.0 1.0 HD13 A:ILE8 4.7 45.8 1.0 HA A:LEU3 4.8 50.7 1.0 HB3 A:LEU3 4.9 53.5 1.0 HB3 A:ALA2 4.9 56.5 1.0 O A:MET1 4.9 66.8 1.0 N A:ALA2 4.9 65.2 1.0 HE3 A:LYS82 5.0 49.6 1.0

Chlorine binding site 3 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4003 b:73.2 occ:1.00 HA A:TRP61 3.0 37.8 1.0 HD1 A:TRP61 3.7 34.9 1.0 CA A:TRP61 3.9 31.5 1.0 HB3 A:TYR64 4.0 37.0 1.0 O A:HOH5051 4.0 48.8 1.0 HB2 A:TYR64 4.0 37.0 1.0 HB2 A:TRP61 4.1 35.7 1.0 N A:TRP61 4.2 34.4 1.0 HB3 A:SER60 4.3 40.2 1.0 CD1 A:TRP61 4.4 29.1 1.0 CB A:TYR64 4.4 30.9 1.0 CB A:TRP61 4.4 29.7 1.0 O A:SER60 4.5 28.8 1.0 H A:TRP61 4.5 41.3 1.0 C A:SER60 4.5 33.2 1.0 HE2 A:HIS65 4.6 43.3 1.0 CG A:TYR64 4.6 46.1 1.0 CG A:TRP61 4.7 34.5 1.0 HD2 A:HIS65 4.8 39.3 1.0 CD2 A:TYR64 4.9 41.9 1.0 HD2 A:TYR64 5.0 50.3 1.0

Chlorine binding site 4 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4004 b:67.4 occ:1.00 HH21 A:ARG86 2.3 59.8 1.0 HE A:ARG86 2.6 73.2 1.0 O A:HOH5089 2.7 41.8 1.0 NH2 A:ARG86 3.1 49.8 1.0 NE A:ARG86 3.4 61.0 1.0 CZ A:ARG86 3.7 53.1 1.0 HG2 A:PRO85 3.7 47.7 1.0 HH22 A:ARG86 3.7 59.8 1.0 HB2 A:ARG86 3.9 56.2 1.0 CG A:PRO85 4.6 39.7 1.0 CD A:ARG86 4.6 62.2 1.0 HD3 A:ARG86 4.6 74.7 1.0 HG3 A:PRO85 4.6 47.7 1.0 H A:ARG86 4.8 45.3 1.0 CB A:ARG86 4.8 46.8 1.0 HB2 A:PRO85 4.8 29.7 1.0

Chlorine binding site 5 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4013 b:36.6 occ:1.00 H A:GLY3046 2.3 41.7 1.0 H A:SER2091 2.6 38.9 1.0 HB A:THR2090 2.8 43.7 1.0 HA3 A:GLY3044 2.9 43.8 1.0 HA A:THR2090 2.9 33.7 1.0 H A:ALA3047 2.9 35.1 1.0 HA3 A:GLY3046 3.0 37.3 1.0 N A:GLY3046 3.1 34.7 1.0 N A:SER2091 3.4 32.4 1.0 CA A:GLY3046 3.4 31.1 1.0 CB A:THR2090 3.5 36.5 1.0 CA A:THR2090 3.5 28.1 1.0 N A:ALA3047 3.5 29.3 1.0 CA A:GLY3044 3.7 36.5 1.0 C A:GLY3044 3.7 39.2 1.0 HB3 A:SER2091 3.8 41.3 1.0 HG22 A:THR2090 3.8 37.5 1.0 N A:ALA3045 3.8 42.1 1.0 H A:ALA3045 3.8 50.5 1.0 C A:GLY3046 3.9 31.3 1.0 C A:THR2090 4.0 35.4 1.0 O A:GLY3044 4.2 38.6 1.0 CG2 A:THR2090 4.2 31.2 1.0 C A:ALA3045 4.2 39.0 1.0 HB2 A:ALA3047 4.2 42.9 1.0 HA2 A:GLY3044 4.3 43.8 1.0 OG A:SER2091 4.3 41.8 1.0 HA2 A:GLY3046 4.3 37.3 1.0 CB A:SER2091 4.3 34.4 1.0 H A:GLY3044 4.4 43.2 1.0 CA A:SER2091 4.5 36.9 1.0 HG A:SER2091 4.5 50.2 1.0 HG21 A:THR2090 4.5 37.5 1.0 N A:GLY3044 4.6 36.0 1.0 CA A:ALA3045 4.6 40.8 1.0 OG1 A:THR2090 4.7 35.5 1.0 CA A:ALA3047 4.7 32.0 1.0 CB A:ALA3047 4.8 35.8 1.0 HB3 A:ALA3047 4.8 42.9 1.0 HA A:ALA3047 4.8 38.4 1.0 N A:THR2090 4.8 35.1 1.0 O A:ILE2089 4.9 37.9 1.0 HA A:SER2091 4.9 44.2 1.0

Chlorine binding site 6 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4014 b:54.3 occ:1.00 H A:ARG3017 2.4 47.0 1.0 HG3 A:ARG3017 2.8 44.2 1.0 O A:HOH5079 2.9 25.1 1.0 O A:HOH5094 3.1 52.7 1.0 HB2 A:ARG3017 3.2 38.8 1.0 N A:ARG3017 3.3 39.1 1.0 HA A:THR3016 3.3 41.9 1.0 HA3 A:GLY3028 3.5 38.0 1.0 CG A:ARG3017 3.6 36.8 1.0 HD3 A:ARG3017 3.7 45.1 1.0 CB A:ARG3017 3.8 32.4 1.0 HB A:THR3016 3.8 38.6 1.0 H A:GLY3028 3.9 37.8 1.0 CA A:THR3016 4.0 34.9 1.0 CA A:ARG3017 4.1 35.1 1.0 C A:THR3016 4.1 35.3 1.0 CD A:ARG3017 4.2 37.6 1.0 CA A:GLY3028 4.3 31.7 1.0 HG2 A:ARG3017 4.3 44.2 1.0 O A:HOH5078 4.4 40.7 1.0 H A:SER3018 4.4 39.9 1.0 CB A:THR3016 4.4 32.1 1.0 N A:GLY3028 4.4 31.5 1.0 HD2 A:ARG3017 4.5 45.1 1.0 HG22 A:THR3016 4.5 46.1 1.0 HA2 A:GLY3028 4.5 38.0 1.0 HB3 A:ARG3017 4.7 38.8 1.0 HA A:ARG3017 4.8 42.1 1.0 O A:LYS3015 5.0 37.5 1.0 CG2 A:THR3016 5.0 38.4 1.0

Chlorine binding site 7 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4015 b:82.0 occ:1.00 HZ1 A:LYS2120 2.6 48.6 1.0 O A:HOH5019 3.1 29.4 1.0 HZ2 A:LYS2120 3.2 48.6 1.0 NZ A:LYS2120 3.3 40.5 1.0 HA A:ARG3020 3.4 39.5 1.0 O A:SER3019 3.4 29.7 1.0 HZ3 A:LYS2120 3.6 48.6 1.0 OG A:SER3019 4.0 45.1 1.0 HB2 A:ALA3014 4.1 39.9 1.0 C A:SER3019 4.2 28.4 1.0 CA A:ARG3020 4.3 32.9 1.0 HG A:SER3019 4.3 54.1 1.0 HB3 A:SER3011 4.4 32.2 1.0 HE3 A:LYS2120 4.5 41.6 0.0 CE A:LYS2120 4.5 34.6 0.0 N A:ARG3020 4.6 25.7 1.0 HB1 A:ALA3014 4.7 39.9 1.0 O A:ARG3020 4.7 31.3 1.0 CB A:ALA3014 4.8 33.3 1.0 HE2 A:LYS2120 4.8 41.6 0.0 C A:ARG3020 4.9 33.3 1.0

Chlorine binding site 8 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl4001 b:37.9 occ:1.00 H a:GLU87 2.5 47.6 1.0 HA a:TYR84 2.6 34.9 1.0 H a:ARG86 2.8 46.9 1.0 HB3 a:ARG86 2.8 49.8 1.0 HG2 a:GLU87 2.8 49.7 1.0 CA a:TYR84 3.3 29.1 1.0 HB3 a:TYR84 3.3 36.8 1.0 N a:GLU87 3.3 39.7 1.0 HD2 a:PRO85 3.3 46.2 1.0 N a:ARG86 3.4 39.0 1.0 C a:TYR84 3.4 31.3 1.0 CB a:ARG86 3.5 41.5 1.0 HD1 a:TYR84 3.5 39.2 1.0 HB2 a:ARG86 3.6 49.8 1.0 CG a:GLU87 3.7 41.4 1.0 O a:TYR84 3.7 32.6 1.0 N a:PRO85 3.8 33.4 1.0 HB2 a:GLU87 3.8 40.4 1.0 CA a:ARG86 3.8 43.7 1.0 CB a:TYR84 3.8 30.7 1.0 HG3 a:GLU87 3.9 49.7 1.0 CD a:PRO85 4.0 38.5 1.0 C a:ARG86 4.0 40.3 1.0 CB a:GLU87 4.1 33.7 1.0 CD1 a:TYR84 4.3 32.7 1.0 C a:PRO85 4.3 37.3 1.0 CA a:GLU87 4.3 42.5 1.0 HG2 a:PRO85 4.4 46.2 1.0 CG a:TYR84 4.5 34.9 1.0 N a:TYR84 4.6 28.6 1.0 O a:HIS83 4.6 36.2 1.0 HB2 a:TYR84 4.6 36.8 1.0 CA a:PRO85 4.6 29.4 1.0 HA a:ARG86 4.7 52.5 1.0 HD3 a:PRO85 4.7 46.2 1.0 CG a:PRO85 4.8 38.5 1.0 CD a:GLU87 4.8 51.2 1.0 CG a:ARG86 4.8 54.3 1.0 H a:CYS88 4.8 44.1 1.0 HA a:GLU87 4.8 51.0 1.0 OE2 a:GLU87 4.9 57.5 1.0 HG2 a:ARG86 4.9 65.1 1.0

Chlorine binding site 9 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl4002 b:43.9 occ:1.00 HE2 a:HIS83 2.3 47.3 1.0 H a:LEU3 2.3 57.2 1.0 HZ2 a:LYS82 2.5 57.3 1.0 HB2 a:LEU3 3.0 49.8 1.0 HA a:ALA2 3.0 73.4 1.0 N a:LEU3 3.1 47.7 1.0 NE2 a:HIS83 3.1 39.4 1.0 NZ a:LYS82 3.4 47.8 1.0 HD3 a:LYS82 3.4 42.5 1.0 HD12 a:ILE79 3.4 50.4 1.0 HG12 a:ILE8 3.5 43.7 1.0 HD13 a:ILE79 3.6 50.4 1.0 HZ1 a:LYS82 3.7 57.3 1.0 CB a:LEU3 3.8 41.5 1.0 CA a:ALA2 3.8 61.2 1.0 HZ3 a:LYS82 3.8 57.3 1.0 CD1 a:ILE79 3.8 42.0 1.0 HB1 a:ALA2 3.8 58.1 1.0 HD11 a:ILE79 3.9 50.4 1.0 CA a:LEU3 3.9 43.0 1.0 C a:ALA2 3.9 55.4 1.0 O a:LEU3 4.0 36.7 1.0 HD12 a:LEU3 4.0 45.9 1.0 CE1 a:HIS83 4.0 43.8 1.0 HE1 a:HIS83 4.0 52.6 1.0 HD11 a:ILE8 4.0 43.1 1.0 HG a:LEU3 4.1 51.4 1.0 CE a:LYS82 4.1 41.2 1.0 CD2 a:HIS83 4.1 36.6 1.0 CD a:LYS82 4.1 35.4 1.0 HE2 a:LYS82 4.2 49.5 1.0 HD2 a:HIS83 4.2 43.9 1.0 CG1 a:ILE8 4.3 36.4 1.0 CB a:ALA2 4.3 48.4 1.0 CG a:LEU3 4.4 42.9 1.0 HD2 a:LYS82 4.4 42.5 1.0 C a:LEU3 4.4 36.3 1.0 HG13 a:ILE8 4.5 43.7 1.0 HB3 a:LEU3 4.5 49.8 1.0 CD1 a:ILE8 4.6 36.0 1.0 HB2 a:ALA2 4.6 58.1 1.0 HG23 a:ILE79 4.6 32.8 1.0 HD13 a:ILE8 4.7 43.1 1.0 CD1 a:LEU3 4.7 38.3 1.0 HA a:LEU3 4.8 51.6 1.0 O a:MET1 4.8 67.5 1.0

Chlorine binding site 10 out of 21 in the Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2- Residue Linker within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl4003 b:50.6 occ:1.00 H a:LYS5 2.5 51.2 1.0 HG3 a:LYS5 2.5 70.8 1.0 HA a:PRO4 3.2 50.2 1.0 N a:LYS5 3.3 42.7 1.0 CL a:CL4005 3.4 81.5 1.0 CG a:LYS5 3.5 59.0 1.0 HB2 a:LYS5 3.6 61.9 1.0 CB a:LYS5 3.9 51.6 1.0 HB3 a:PRO4 3.9 39.0 1.0 CA a:PRO4 3.9 41.9 1.0 HG2 a:LYS5 4.1 70.8 1.0 C a:PRO4 4.1 39.5 1.0 HD2 a:LYS5 4.2 80.7 1.0 HD3 a:LYS5 4.2 80.7 1.0 CD a:LYS5 4.2 67.2 1.0 CA a:LYS5 4.2 43.0 1.0 CB a:PRO4 4.5 32.5 1.0 H a:ASP6 4.5 58.2 1.0 HB3 a:LYS5 4.8 61.9 1.0 HA a:LYS5 4.9 51.6 1.0 HB2 a:PRO4 4.9 39.0 1.0

Q.Hu, M.V.Botuyan, G.Mer. Crystal Structure of RNF168 (Ring)-UBCH5C Fused to H2A-H2B Via A 2-Residue Linker To Be Published.