Chlorine in PDB 6xyd: Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi

The structure of Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi, PDB code: 6xyd was solved by Y.Roske, U.Heinemann, E.D.Andrea, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.07 / 1.81
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.213, 44.771, 68.654, 90.00, 93.40, 90.00
R / Rfree (%)	18.3 / 21.6

The structure of Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi (pdb code 6xyd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi, PDB code: 6xyd:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi


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 Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:49.2 occ:1.00 N A:ARG99 4.0 17.8 1.0 N B:ARG99 4.1 19.0 1.0 N C:ARG99 4.1 19.2 1.0 MG B:MG201 4.1 18.1 1.0 N D:ARG99 4.2 20.1 1.0 CA A:ILE98 4.2 15.0 1.0 CA C:ILE98 4.2 16.1 1.0 CA B:ILE98 4.2 15.1 1.0 CA D:ILE98 4.3 16.9 1.0 O C:SER97 4.6 14.8 1.0 O A:SER97 4.6 13.7 1.0 C A:ILE98 4.6 19.0 1.0 O B:SER97 4.6 14.1 1.0 O D:SER97 4.6 15.3 1.0 C C:ILE98 4.6 20.2 1.0 C B:ILE98 4.6 21.2 1.0 CB B:ILE98 4.7 19.1 1.0 CB C:ILE98 4.7 20.4 1.0 CG2 B:ILE98 4.7 20.8 1.0 CB A:ILE98 4.7 19.6 1.0 CG2 C:ILE98 4.7 21.0 1.0 O B:ARG99 4.7 26.8 1.0 C D:ILE98 4.7 21.4 1.0 O A:ARG99 4.8 26.9 1.0 CG2 A:ILE98 4.8 20.0 1.0 CB D:ILE98 4.8 21.8 1.0 O C:ARG99 4.8 23.3 1.0 CG2 D:ILE98 4.8 21.3 1.0 O D:ARG99 4.9 26.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi


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 Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:13.4 occ:1.00 MG B:MG201 2.9 18.1 1.0 N D:SER97 3.4 12.1 1.0 N B:SER97 3.5 11.4 1.0 N C:SER97 3.5 11.2 1.0 N A:SER97 3.5 11.9 1.0 CA D:ASN96 3.7 10.9 1.0 CA C:ASN96 3.7 12.1 1.0 CA A:ASN96 3.7 10.8 1.0 CA B:ASN96 3.7 12.0 1.0 O B:SER97 3.8 14.1 1.0 O C:SER97 3.8 14.8 1.0 O A:SER97 3.8 13.7 1.0 O D:SER97 3.8 15.3 1.0 CB D:ASN96 3.9 12.8 1.0 CB C:ASN96 4.0 11.9 1.0 CB B:ASN96 4.0 10.8 1.0 CB A:ASN96 4.0 13.4 1.0 C D:ASN96 4.0 15.9 1.0 C A:ASN96 4.1 15.5 1.0 C B:ASN96 4.1 15.1 1.0 C C:ASN96 4.1 16.0 1.0 OG A:SER97 4.1 17.5 0.5 OG B:SER97 4.2 21.9 0.5 OG D:SER97 4.2 27.6 0.5 CA B:SER97 4.5 11.4 0.5 CA B:SER97 4.5 11.8 0.5 CA C:SER97 4.5 11.9 0.5 CA C:SER97 4.5 11.7 0.5 CA A:SER97 4.5 11.8 0.5 CA D:SER97 4.5 11.9 0.5 CA D:SER97 4.5 11.9 0.5 CA A:SER97 4.5 11.6 0.5 C B:SER97 4.6 16.3 1.0 C C:SER97 4.6 16.7 1.0 C A:SER97 4.6 15.7 1.0 C D:SER97 4.6 16.6 1.0 MG A:MG204 4.6 16.5 1.0 O D:SER95 4.8 14.5 1.0 O C:SER95 4.8 14.2 1.0 O B:SER95 4.8 12.7 1.0 O A:SER95 4.8 11.4 1.0 CB A:SER97 4.8 15.1 0.5 CB C:SER97 4.8 16.4 0.5 CB B:SER97 4.9 14.3 0.5 CB C:SER97 4.9 15.5 0.5 CB A:SER97 4.9 14.0 0.5 CB B:SER97 4.9 15.7 0.5 CB D:SER97 4.9 15.4 0.5 N D:ASN96 4.9 11.9 1.0 CB D:SER97 4.9 15.3 0.5 N A:ASN96 4.9 9.7 1.0 N B:ASN96 5.0 12.1 1.0 N C:ASN96 5.0 12.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi


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 Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:17.2 occ:1.00 MG A:MG204 2.6 16.5 1.0 N C:SER95 3.4 10.3 1.0 N A:SER95 3.5 12.7 1.0 N D:SER95 3.5 13.3 1.0 N B:SER95 3.6 11.9 1.0 O C:SER95 3.6 14.2 1.0 O A:SER95 3.6 11.4 1.0 O D:SER95 3.6 14.5 1.0 O B:SER95 3.7 12.7 1.0 CA C:ALA94 3.7 12.7 1.0 CA A:ALA94 3.7 13.3 1.0 CA D:ALA94 3.8 15.6 1.0 CA B:ALA94 3.8 15.4 1.0 CB A:ALA94 4.0 14.2 1.0 CB B:ALA94 4.0 15.9 1.0 CB C:ALA94 4.0 12.8 1.0 CB D:ALA94 4.1 15.4 1.0 C C:ALA94 4.1 14.8 1.0 C A:ALA94 4.1 15.9 1.0 C D:ALA94 4.1 17.5 1.0 C B:ALA94 4.2 17.6 1.0 C C:SER95 4.4 13.6 1.0 CA C:SER95 4.5 9.6 1.0 C A:SER95 4.5 13.2 1.0 CA A:SER95 4.5 10.5 1.0 CA D:SER95 4.5 11.3 1.0 C D:SER95 4.5 12.8 1.0 C B:SER95 4.5 15.4 1.0 OG B:SER95 4.6 21.5 0.5 CA B:SER95 4.6 11.4 0.5 CA B:SER95 4.6 12.3 0.5 NA A:NA205 4.7 19.6 1.0 O C:ARG93 4.7 16.6 1.0 O B:ARG93 4.8 16.1 1.0 O D:ARG93 4.8 21.0 1.0 O A:ARG93 4.8 15.9 1.0 CB D:SER95 4.9 13.6 1.0 CB C:SER95 4.9 11.7 1.0 CB A:SER95 4.9 12.8 1.0 N C:ALA94 4.9 13.3 1.0 N A:ALA94 5.0 13.8 1.0 N D:ALA94 5.0 16.8 1.0 N B:ALA94 5.0 16.6 1.0

E.Dias D'andrea, Y.Roske, G.A.P.De Oliveira, N.Cremer, A.Diehl, P.Schmieder, U.Heinemann, H.Oschkinat, J.Ricardo Pires. Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi. J.Struct.Biol. 07536 2020.
ISSN: ESSN 1095-8657
PubMed: 32473201
DOI: 10.1016/J.JSB.2020.107536