Iodine in PDB 6xyb: 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: 6xyb was solved by Y.Roske, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.71 / 1.47
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.701, 44.487, 69.544, 90.00, 93.46, 90.00
R / Rfree (%)	14.3 / 18.6

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
Potassium	(K)	1 atom
Chlorine	(Cl)	1 atom

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

Iodine binding site 1 out of 2 in the Crystal Structure of Q4D6Q6, A Conserved Kinetoplastid-Specific Protein From Trypanosoma Cruzi


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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:I201 b:10.7 occ:1.00 MG A:MG204 3.1 12.1 1.0 N C:SER95 3.7 9.4 1.0 N B:SER95 3.7 11.3 1.0 N A:SER95 3.8 11.2 1.0 N D:SER95 3.8 10.3 1.0 CA A:ALA94 3.8 12.1 1.0 CA D:ALA94 3.8 10.4 1.0 K A:K202 3.8 13.1 1.0 CA B:ALA94 3.9 14.4 1.0 CA C:ALA94 3.9 10.9 1.0 O B:SER95 4.0 11.4 1.0 CB A:ALA94 4.0 12.4 1.0 O C:SER95 4.0 10.8 1.0 O D:SER95 4.0 10.0 1.0 O A:SER95 4.0 10.4 1.0 CB D:ALA94 4.0 13.2 1.0 CB B:ALA94 4.2 12.0 1.0 CB C:ALA94 4.2 11.0 1.0 C A:ALA94 4.3 10.4 1.0 C C:ALA94 4.3 8.0 1.0 C B:ALA94 4.3 12.2 1.0 C D:ALA94 4.3 8.8 1.0 O C:ARG93 4.6 13.6 1.0 O B:ARG93 4.6 14.4 1.0 O A:ARG93 4.6 14.6 1.0 O D:ARG93 4.7 13.1 1.0 OG B:SER95 4.7 19.5 0.5 OG A:SER95 4.7 11.7 0.5 OG D:SER95 4.7 11.2 0.5 CA B:SER95 4.8 9.8 0.5 CA B:SER95 4.8 10.8 0.5 CA C:SER95 4.8 8.6 1.0 CA A:SER95 4.8 10.7 0.5 CA A:SER95 4.8 11.2 0.5 CA D:SER95 4.8 11.6 0.5 C C:SER95 4.8 10.9 1.0 C B:SER95 4.8 9.8 1.0 CA D:SER95 4.8 10.7 0.5 C D:SER95 4.8 9.4 1.0 C A:SER95 4.9 8.7 1.0 N D:ALA94 5.0 12.1 1.0 N A:ALA94 5.0 12.4 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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 D:I201 b:16.0 occ:1.00 N D:ARG99 3.9 15.6 1.0 N A:ARG99 4.0 15.1 1.0 N C:ARG99 4.0 15.1 1.0 N B:ARG99 4.1 17.4 1.0 CA A:ILE98 4.2 14.3 1.0 MG A:MG203 4.2 12.9 1.0 CA D:ILE98 4.2 13.1 1.0 CA C:ILE98 4.2 13.0 1.0 CA B:ILE98 4.2 14.8 1.0 C D:ILE98 4.6 13.7 1.0 C C:ILE98 4.6 12.6 1.0 C A:ILE98 4.6 12.4 1.0 O A:ARG99 4.6 22.7 1.0 C B:ILE98 4.6 15.3 1.0 O B:SER97 4.7 14.0 1.0 CB B:ILE98 4.7 16.6 1.0 O A:SER97 4.7 11.9 1.0 O D:SER97 4.7 11.5 1.0 CB C:ILE98 4.7 15.2 1.0 CB A:ILE98 4.7 16.9 1.0 CB D:ILE98 4.7 17.4 1.0 O C:SER97 4.7 12.3 1.0 O D:ARG99 4.7 21.5 1.0 O C:ARG99 4.7 21.3 1.0 O B:ARG99 4.8 20.3 1.0 CG2 D:ILE98 4.8 18.1 1.0 CG2 B:ILE98 4.8 18.5 1.0 CG2 C:ILE98 4.9 19.4 1.0 CG2 A:ILE98 4.9 19.6 1.0 CA D:ARG99 5.0 19.7 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