Chlorine in PDB 4tn8: Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data

The structure of Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data, PDB code: 4tn8 was solved by T.Weinert, S.Waltersperger, V.Olieric, E.Panepucci, L.Chen, J.P.Rose, M.Wang, B.C.Wang, Southeast Collaboratory For Structural Genomics(Secsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.86 / 2.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.500, 58.500, 59.930, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 28.1

The binding sites of Chlorine atom in the Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data (pdb code 4tn8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data, PDB code: 4tn8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data


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 Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:42.7 occ:0.71 N A:ALA92 3.1 32.3 1.0 CB A:ALA92 3.5 32.5 1.0 CB A:PRO33 3.7 37.6 1.0 CA A:ALA92 3.9 32.2 1.0 C A:GLY91 4.0 40.2 1.0 CA A:GLY91 4.0 42.4 1.0 CG A:PRO33 4.1 36.2 1.0 CG A:PRO75 4.3 42.5 1.0 O A:ALA92 4.7 32.9 1.0 CB A:PRO75 4.7 44.1 1.0 C A:ALA92 4.8 36.6 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data


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 Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:42.8 occ:0.94 CE A:LYS64 3.4 40.0 1.0 N A:LYS64 3.4 29.3 1.0 CD A:PRO63 3.4 34.8 1.0 CB A:LYS64 3.5 32.8 1.0 CB A:ASP9 3.5 44.5 1.0 CG A:ASP9 3.5 48.2 1.0 OD2 A:ASP9 3.6 42.5 1.0 N A:PRO63 3.6 35.8 1.0 CA A:ASN62 3.7 35.7 1.0 C A:ASN62 3.8 35.2 1.0 CG A:LYS64 3.8 37.8 1.0 CA A:LYS64 4.0 32.7 1.0 CG A:PRO63 4.0 32.6 1.0 NZ A:LYS64 4.1 50.0 1.0 OD1 A:ASP9 4.1 60.1 1.0 CD A:LYS64 4.2 36.6 1.0 CB A:ASN62 4.3 38.2 1.0 N A:THR65 4.3 29.1 1.0 O A:GLU61 4.3 38.6 1.0 C A:PRO63 4.4 34.7 1.0 O A:ASN62 4.5 38.0 1.0 CA A:PRO63 4.6 36.4 1.0 C A:LYS64 4.7 31.0 1.0 OD1 A:ASN62 4.7 42.3 1.0 OG1 A:THR65 4.7 38.8 1.0 N A:ASN62 4.8 38.6 1.0 CA A:ASP9 4.9 43.0 1.0 CG A:ASN62 5.0 37.1 1.0 CB A:PRO63 5.0 33.4 1.0 C A:GLU61 5.0 41.3 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data


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 Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:39.0 occ:0.81 O A:HOH311 3.1 33.0 1.0 N A:ARG96 3.2 33.1 1.0 CB A:ARG96 3.5 36.4 1.0 CG A:ARG96 3.5 39.2 1.0 N A:LYS95 3.7 31.5 1.0 NH1 A:ARG96 3.8 43.5 1.0 CA A:ARG96 3.9 38.5 1.0 CB A:LYS95 4.0 38.0 1.0 C A:LYS95 4.1 37.3 1.0 CA A:LYS95 4.1 36.2 1.0 CD A:ARG96 4.2 36.2 1.0 CB A:PRO94 4.2 30.4 1.0 C A:PRO94 4.4 33.0 1.0 CA A:PRO94 4.7 35.8 1.0 CZ A:ARG96 4.8 38.8 1.0 NE A:ARG96 4.9 33.2 1.0 CL A:CL205 5.0 45.1 0.4

Chlorine binding site 4 out of 6 in the Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data


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 Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:60.4 occ:1.00 NZ A:LYS95 3.1 45.4 1.0 CE A:LYS95 3.4 42.9 1.0 CD A:LYS95 4.9 36.0 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data


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 Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:45.1 occ:0.44 NH1 A:ARG96 3.3 43.5 1.0 CZ A:ARG96 4.3 38.8 1.0 NH2 A:ARG96 4.5 38.2 1.0 CB A:PRO94 5.0 30.4 1.0 O A:HOH311 5.0 33.0 1.0 CL A:CL203 5.0 39.0 0.8

Chlorine binding site 6 out of 6 in the Crystal Structure of Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data


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 Thermus Thermophilus Thioredoxin Solved By Sulfur Sad Using Swiss Light Source Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:54.2 occ:0.97 C A:HIS19 3.3 42.0 1.0 N A:PRO20 3.4 42.2 1.0 O A:HOH326 3.5 37.5 1.0 O A:HIS19 3.6 45.5 1.0 N A:HIS19 3.7 47.1 1.0 O A:GLN18 3.7 47.5 1.0 CD A:PRO20 3.7 38.5 1.0 C A:GLN18 3.7 47.9 1.0 CA A:HIS19 3.7 41.0 1.0 O A:GLY17 3.9 52.3 1.0 CA A:PRO20 3.9 40.3 1.0 CG A:PRO20 4.1 39.0 1.0 C A:GLY17 4.5 42.4 1.0 CA A:GLN18 4.5 41.6 1.0 CB A:PRO20 4.6 36.2 1.0 N A:GLN18 4.7 42.2 1.0 OD1 A:ASP82 4.9 43.7 1.0

T.Weinert, V.Olieric, S.Waltersperger, E.Panepucci, L.Chen, H.Zhang, D.Zhou, J.P.Rose, A.Ebihara, S.Kuramitsu, D.Li, N.Howe, A.Pautsch, K.Bargsten, A.E.Prota, P.Surana, J.Kottur, D.T.Nair, F.Basilico, V.Cecatiello, S.Pasqualato, A.Boland, O.Weichenrieder, C.Dekker, B.C.Wang, O.Steinmetz, M.Caffrey, M.Wang. A Fast Native-Sad Phasing For Routine Macromolecular Structure Determination To Be Published.