Chlorine in PDB 4x33: Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A

The structure of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A, PDB code: 4x33 was solved by O.Kolaj-Robin, A.G.Mcewen, J.Cavarelli, B.Seraphin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.23 / 1.45
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	49.790, 89.009, 163.530, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 17.6

The structure of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Iron	(Fe)	1 atom

The binding sites of Chlorine atom in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A (pdb code 4x33). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A, PDB code: 4x33:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:34.1 occ:1.00 H A:MET53 2.3 19.5 0.5 H A:MET53 2.3 19.6 0.5 H A:TYR4 2.6 24.1 1.0 HE1 B:HIS250 2.8 22.8 1.0 O A:HOH245 2.9 41.0 1.0 HA A:LEU52 2.9 19.9 1.0 HA A:THR3 3.2 34.6 1.0 N A:MET53 3.2 20.1 1.0 HB2 A:TYR4 3.3 20.1 1.0 N A:TYR4 3.3 23.6 1.0 HB2 A:MET53 3.3 23.4 0.5 HE3 A:MET53 3.4 33.7 0.5 HB2 A:MET53 3.4 24.4 0.5 HB3 A:TYR4 3.6 16.4 1.0 O A:MET53 3.7 23.2 1.0 HD22 A:LEU52 3.7 20.0 1.0 CE1 B:HIS250 3.7 21.8 1.0 CB A:TYR4 3.8 19.6 1.0 CA A:LEU52 3.9 19.5 1.0 HE2 B:HIS250 3.9 24.5 1.0 C A:LEU52 4.0 23.6 1.0 HD23 A:LEU52 4.0 21.3 1.0 CA A:THR3 4.1 35.6 1.0 C A:THR3 4.1 32.0 1.0 CA A:MET53 4.1 20.5 0.5 CA A:TYR4 4.1 20.5 1.0 CA A:MET53 4.1 21.1 0.5 CB A:MET53 4.1 23.6 0.5 HG3 A:MET53 4.2 28.1 0.5 NE2 B:HIS250 4.2 23.2 1.0 O A:HOH236 4.2 41.7 1.0 CB A:MET53 4.2 24.7 0.5 HE3 A:MET53 4.3 30.0 0.5 HB3 A:LEU52 4.3 17.9 1.0 O A:SER51 4.3 23.9 1.0 HE2 A:MET53 4.3 31.0 0.5 HA A:TYR4 4.3 21.7 1.0 CE A:MET53 4.3 33.9 0.5 C A:MET53 4.4 23.8 1.0 HE2 A:MET53 4.4 33.6 0.5 CD2 A:LEU52 4.4 20.6 1.0 HG3 A:MET53 4.4 30.3 0.5 O A:SER2 4.5 53.2 1.0 OG1 A:THR3 4.5 48.3 1.0 CB A:LEU52 4.6 18.1 1.0 CG A:MET53 4.7 28.2 0.5 CE A:MET53 4.8 30.6 0.5 CG A:MET53 4.8 30.2 0.5 HG1 B:THR249 4.8 23.6 1.0 ND1 B:HIS250 4.9 22.2 1.0 CB A:THR3 4.9 41.3 1.0 N A:LEU52 4.9 20.7 1.0

Chlorine binding site 2 out of 8 in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:39.8 occ:0.61 H A:PHE14 2.2 26.2 1.0 HA A:THR13 2.9 26.2 1.0 O A:HOH211 2.9 43.0 1.0 N A:PHE14 3.2 25.6 1.0 HG23 A:THR13 3.4 37.1 1.0 HB3 A:PHE14 3.4 26.3 1.0 HH22 B:ARG166 3.4 66.1 1.0 HB2 A:PHE14 3.8 25.0 1.0 CA A:THR13 3.8 26.2 1.0 CB A:PHE14 4.0 26.6 1.0 C A:THR13 4.0 27.1 1.0 CA A:PHE14 4.1 25.7 1.0 O A:MET12 4.2 27.3 1.0 O A:PHE14 4.3 35.3 1.0 NH2 B:ARG166 4.3 65.8 1.0 CG2 A:THR13 4.3 36.3 1.0 O A:HOH210 4.5 37.7 1.0 HG22 A:THR13 4.6 36.5 1.0 HH21 B:ARG166 4.6 65.4 1.0 CB A:THR13 4.6 36.0 1.0 C A:PHE14 4.7 34.1 1.0 HH12 B:ARG166 4.8 66.3 1.0 HE1 A:PHE21 4.9 28.4 1.0 N A:THR13 4.9 25.1 1.0 C A:MET12 5.0 27.9 1.0

Chlorine binding site 3 out of 8 in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:34.5 occ:0.71 HE21 B:GLN139 2.7 26.9 1.0 O B:HOH905 3.0 52.0 1.0 HG3 B:GLN139 3.0 18.8 1.0 O A:HOH230 3.0 40.2 1.0 O B:HOH903 3.0 73.4 1.0 HE2 B:PHE138 3.3 18.9 1.0 HD3 A:PRO24 3.4 23.0 1.0 NE2 B:GLN139 3.5 27.1 1.0 HD2 A:PRO24 3.5 23.4 1.0 HG2 A:PRO24 3.6 24.3 1.0 CG B:GLN139 3.7 18.7 1.0 HG2 B:GLN139 3.8 19.3 1.0 CD A:PRO24 3.8 22.0 1.0 CE2 B:PHE138 3.9 20.0 1.0 CD B:GLN139 4.0 32.2 1.0 HZ B:PHE138 4.1 23.4 1.0 CG A:PRO24 4.1 24.1 1.0 HE1 A:TYR23 4.2 23.7 1.0 HE22 B:GLN139 4.2 27.4 1.0 HG1 A:THR13 4.3 36.5 1.0 CZ B:PHE138 4.3 20.7 1.0 HG3 A:PRO24 4.4 24.2 1.0 HH22 A:ARG30 4.4 37.7 1.0 HH12 A:ARG30 4.4 32.0 1.0 HD1 A:TYR23 4.5 25.2 1.0 CE1 A:TYR23 4.5 25.0 1.0 O A:ASP11 4.6 32.4 1.0 OG1 A:THR13 4.6 35.9 1.0 CD1 A:TYR23 4.7 24.2 1.0 O B:HOH904 4.8 53.7 1.0 HA A:TYR23 4.8 17.5 1.0 CD2 B:PHE138 4.8 17.1 1.0 O A:HOH269 4.8 51.9 1.0 O A:HOH260 4.9 54.3 1.0 HD2 B:PHE138 5.0 17.3 1.0 O B:HOH770 5.0 20.5 0.4

Chlorine binding site 4 out of 8 in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:33.5 occ:1.00 H B:ILE37 2.2 30.9 1.0 H B:ASP54 2.4 24.1 0.5 H B:ASP54 2.7 23.5 0.5 HB B:THR52 2.8 20.0 0.5 HB3 B:ASP54 2.8 25.6 0.5 HB2 B:ASN53 2.9 24.4 0.5 HB2 B:ASN53 2.9 25.8 0.5 H B:ASN53 3.1 21.1 0.5 HA B:ALA36 3.1 38.1 1.0 HB B:THR52 3.1 24.6 0.5 N B:ASP54 3.2 23.8 0.5 H B:ASN53 3.2 22.8 0.5 N B:ILE37 3.2 30.9 1.0 HB B:ILE37 3.4 30.0 1.0 HB1 B:ALA36 3.5 37.5 1.0 CB B:ASP54 3.6 24.5 0.5 N B:ASP54 3.6 22.9 0.5 N B:ASN53 3.6 22.2 0.5 HB3 B:ASP54 3.6 26.8 0.5 N B:ASN53 3.7 20.4 0.5 CG B:ASP54 3.7 33.8 0.5 HG1 B:THR52 3.7 22.7 0.5 CG B:ASP54 3.8 37.1 0.5 O B:ILE37 3.8 26.5 1.0 CB B:ASN53 3.8 26.0 0.5 CB B:THR52 3.9 19.0 0.5 C B:ASN53 3.9 28.1 0.5 CB B:ASN53 3.9 24.6 0.5 CA B:ALA36 3.9 38.0 1.0 CA B:ASN53 3.9 24.1 0.5 HG12 B:ILE37 3.9 33.5 1.0 CA B:ASP54 3.9 22.8 0.5 OD2 B:ASP54 3.9 41.4 0.5 OD2 B:ASP54 4.0 40.2 0.5 OD1 B:ASP54 4.0 38.4 0.5 C B:ALA36 4.1 38.6 1.0 CB B:ASP54 4.1 26.4 0.5 CA B:ASN53 4.1 22.1 0.5 OD1 B:ASP54 4.1 31.9 0.5 CB B:THR52 4.1 24.0 0.5 CA B:ILE37 4.1 28.1 1.0 CB B:ALA36 4.2 37.9 1.0 OG1 B:THR52 4.2 21.8 0.5 CB B:ILE37 4.2 30.9 1.0 C B:ASN53 4.3 24.9 0.5 HB3 B:ASN53 4.3 26.9 0.5 HA B:ASP54 4.3 24.0 0.5 C B:THR52 4.3 23.9 0.5 HB3 B:ASN53 4.3 25.5 0.5 C B:ILE37 4.4 27.7 1.0 HG1 B:THR52 4.5 24.0 0.5 CA B:ASP54 4.5 23.1 0.5 C B:THR52 4.5 22.3 0.5 HB2 B:ASP54 4.5 25.3 0.5 HB2 B:ALA36 4.5 38.1 1.0 CG1 B:ILE37 4.6 32.8 1.0 HG22 B:THR52 4.6 19.7 0.5 OG1 B:THR52 4.7 23.6 0.5 CA B:THR52 4.7 19.2 0.5 CG2 B:THR52 4.7 18.8 0.5 HG21 B:THR52 4.7 20.0 0.5 CA B:THR52 4.7 20.4 0.5 HA B:THR52 4.8 19.4 0.5 HD22 B:ASN53 4.8 42.6 0.5 O B:ASN53 4.9 29.2 0.5 CG B:ASN53 4.9 42.7 0.5 HA B:THR52 4.9 20.6 0.5 CG B:ASN53 5.0 42.4 0.5 HA B:ASN53 5.0 23.4 0.5

Chlorine binding site 5 out of 8 in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:25.9 occ:0.48 H B:LEU312 2.0 12.7 1.0 HA B:GLN311 2.8 14.5 1.0 O B:HOH667 2.9 56.9 1.0 N B:LEU312 3.0 15.2 1.0 HB3 B:LEU312 3.1 16.4 1.0 O B:HOH608 3.1 30.3 0.4 O B:HOH773 3.3 31.4 1.0 HB2 B:LEU312 3.4 17.0 1.0 CB B:LEU312 3.6 16.7 1.0 CA B:GLN311 3.8 15.7 1.0 HG3 B:GLN311 3.8 22.7 1.0 C B:GLN311 3.8 16.2 1.0 CA B:LEU312 3.9 15.2 1.0 O B:LEU310 4.0 22.6 1.0 HD2 B:TYR290 4.4 17.2 1.0 HE2 B:TYR290 4.5 19.3 1.0 O B:LEU312 4.5 18.8 1.0 O B:HOH597 4.6 51.6 1.0 CG B:GLN311 4.6 22.2 1.0 HA B:LEU312 4.7 14.2 1.0 CB B:GLN311 4.7 17.2 1.0 N B:GLN311 4.7 15.3 1.0 C B:LEU312 4.7 17.8 1.0 C B:LEU310 4.8 19.6 1.0 HD23 B:LEU312 4.9 21.8 1.0 HG2 B:GLN311 4.9 21.9 1.0 O B:HOH768 4.9 30.6 1.0

Chlorine binding site 6 out of 8 in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:30.7 occ:0.65 H B:GLN120 1.9 17.1 1.0 HA B:THR119 2.8 20.6 0.4 HA B:THR119 2.8 20.9 0.6 HG23 B:THR119 2.9 27.6 0.6 N B:GLN120 2.9 19.1 1.0 O B:HOH589 3.0 29.1 1.0 HZ3 B:TRP109 3.1 21.2 1.0 O B:HOH551 3.1 48.9 1.0 HB2 B:GLN120 3.3 21.8 1.0 HB3 B:GLN120 3.3 20.5 1.0 O B:HOH798 3.4 36.5 1.0 HB B:THR119 3.5 24.1 0.4 CA B:THR119 3.6 20.1 0.4 CB B:GLN120 3.6 20.3 1.0 CA B:THR119 3.6 20.4 0.6 C B:THR119 3.7 21.8 1.0 HG22 B:THR119 3.7 22.2 0.4 CG2 B:THR119 3.8 27.2 0.6 CA B:GLN120 3.8 17.9 1.0 CZ3 B:TRP109 3.8 20.6 1.0 HG22 B:THR119 3.9 26.6 0.6 O B:HOH852 3.9 49.1 1.0 CB B:THR119 4.0 24.3 0.4 HE3 B:TRP109 4.3 19.1 1.0 CB B:THR119 4.3 26.5 0.6 CG2 B:THR119 4.4 21.7 0.4 CE3 B:TRP109 4.4 19.3 1.0 O B:GLN120 4.6 23.7 1.0 HA B:GLN120 4.6 17.1 1.0 O B:PHE118 4.6 24.6 1.0 HG21 B:THR119 4.6 27.9 0.6 HH2 B:TRP109 4.7 19.7 1.0 CH2 B:TRP109 4.7 20.9 1.0 C B:GLN120 4.7 22.8 1.0 N B:THR119 4.8 20.4 1.0 HE2 B:HIS122 4.9 34.1 1.0 O B:THR119 4.9 20.9 1.0 OG1 B:THR119 5.0 25.7 0.6

Chlorine binding site 7 out of 8 in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:44.2 occ:0.77 H B:LYS304 2.0 20.9 1.0 O B:HOH622 2.9 59.1 1.0 HB2 B:LYS304 3.0 23.3 1.0 N B:LYS304 3.0 20.9 1.0 HA B:GLN303 3.1 22.5 1.0 HE2 B:LYS304 3.3 45.2 1.0 O B:PRO302 3.5 25.8 1.0 CB B:LYS304 3.7 22.6 1.0 CA B:LYS304 3.8 19.8 1.0 HZ3 B:LYS304 3.8 37.5 1.0 HG3 B:LYS304 3.9 25.9 1.0 HE22 B:GLN303 3.9 56.3 1.0 CA B:GLN303 3.9 21.9 1.0 C B:GLN303 3.9 24.0 1.0 H B:GLY305 3.9 22.6 1.0 NE2 B:GLN303 3.9 55.8 1.0 CD B:GLN303 4.2 62.3 1.0 HE21 B:GLN303 4.2 56.8 1.0 N B:GLY305 4.2 21.1 1.0 C B:LYS304 4.2 24.2 1.0 CE B:LYS304 4.3 44.8 1.0 CG B:LYS304 4.3 25.6 1.0 NZ B:LYS304 4.4 37.7 1.0 OE1 B:GLN303 4.4 54.4 1.0 C B:PRO302 4.5 25.2 1.0 HZ1 B:LYS304 4.6 39.3 1.0 HB3 B:LYS304 4.7 23.0 1.0 HG2 B:GLN303 4.7 44.4 1.0 N B:GLN303 4.7 21.8 1.0 HA B:LYS304 4.8 19.1 1.0 CG B:GLN303 4.9 43.7 1.0 CD B:LYS304 4.9 30.0 1.0

Chlorine binding site 8 out of 8 in the Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Elongator Cofactor Complex KTI11/KTI13 at 1.45A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:61.9 occ:0.71 H B:ASP260 2.5 36.5 1.0 H B:PHE261 2.9 26.1 1.0 O B:HOH863 2.9 31.1 1.0 HB3 B:LEU259 3.0 35.6 1.0 HD2 B:PHE261 3.1 36.5 1.0 HB2 B:PHE261 3.2 26.6 1.0 HD22 B:LEU259 3.2 44.8 1.0 N B:ASP260 3.3 37.2 1.0 HA B:LEU259 3.3 35.4 1.0 HG21 B:THR277 3.5 19.8 1.0 N B:PHE261 3.6 26.7 1.0 HB2 B:ASP260 3.6 41.2 1.0 CB B:LEU259 3.8 35.0 1.0 CA B:LEU259 3.9 35.3 1.0 O B:HOH932 3.9 45.8 1.0 C B:LEU259 4.0 38.5 1.0 CD2 B:LEU259 4.1 44.7 1.0 CB B:PHE261 4.1 27.6 1.0 CD2 B:PHE261 4.1 36.6 1.0 CA B:ASP260 4.1 38.4 1.0 HD13 B:LEU259 4.3 39.3 1.0 C B:ASP260 4.3 37.4 1.0 HD23 B:LEU259 4.3 45.5 1.0 CB B:ASP260 4.4 42.0 1.0 CA B:PHE261 4.4 24.7 1.0 OH B:TYR290 4.4 22.3 1.0 HD21 B:ASN279 4.5 39.8 1.0 O B:PHE261 4.5 21.3 1.0 CG B:LEU259 4.5 39.8 1.0 CG2 B:THR277 4.5 20.3 1.0 HH B:TYR290 4.6 23.3 1.0 CG B:PHE261 4.7 31.5 1.0 HB2 B:LEU259 4.7 35.4 1.0 HG1 B:THR277 4.7 20.5 1.0 HE1 B:TYR290 4.8 19.9 1.0 C B:PHE261 4.9 20.7 1.0 CZ B:TYR290 4.9 19.2 1.0 HB B:THR277 4.9 14.2 1.0 CD1 B:LEU259 4.9 39.9 1.0 HB3 B:PHE261 5.0 25.5 1.0 HD21 B:LEU259 5.0 44.5 1.0 OD2 B:ASP260 5.0 67.4 1.0 OG1 B:THR277 5.0 18.5 1.0

O.Kolaj-Robin, A.G.Mcewen, J.Cavarelli, B.Seraphin. Structure of the Elongator Cofactor Complex KTI11/KTI13 Provides Insight Into the Role of KTI13 in Elongator-Dependent Trna Modification. Febs J. 2015.
ISSN: ISSN 1742-464X
PubMed: 25604895
DOI: 10.1111/FEBS.13199