Iodine in PDB 8gyr: Crystal Structure of A Variable Region Segment of Leptospira Host- Interacting Outer Surface Protein, Liga

The structure of Crystal Structure of A Variable Region Segment of Leptospira Host- Interacting Outer Surface Protein, Liga, PDB code: 8gyr was solved by P.Kumar, M.Akif, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	85.92 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.219, 63.905, 171.839, 90, 90, 90
R / Rfree (%)	20.8 / 23.4

The structure of Crystal Structure of A Variable Region Segment of Leptospira Host- Interacting Outer Surface Protein, Liga also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	1 atom
Potassium	(K)	5 atoms
Sodium	(Na)	5 atoms

The binding sites of Iodine atom in the Crystal Structure of A Variable Region Segment of Leptospira Host- Interacting Outer Surface Protein, Liga (pdb code 8gyr). 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 A Variable Region Segment of Leptospira Host- Interacting Outer Surface Protein, Liga, PDB code: 8gyr:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of A Variable Region Segment of Leptospira Host- Interacting Outer Surface Protein, Liga


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 A Variable Region Segment of Leptospira Host- Interacting Outer Surface Protein, Liga within 5.0Å range: probe atom residue distance (Å) B Occ A:I210 b:20.8 occ:0.80 OG A:SER11 3.0 27.9 1.0 OG1 A:THR13 3.2 21.5 1.0 N B:ALA18 3.6 16.1 1.0 O A:HOH399 3.6 20.7 1.0 CG B:MET21 3.9 14.8 1.0 CB A:SER11 3.9 17.3 1.0 CA B:ILE17 4.0 15.9 1.0 CB B:MET21 4.0 14.1 1.0 CB A:THR13 4.1 22.0 1.0 CB B:ALA18 4.3 16.6 1.0 CB B:ILE17 4.3 16.2 1.0 C B:ILE17 4.3 16.8 1.0 N A:THR13 4.3 17.7 1.0 CA A:SER11 4.3 15.8 1.0 O A:VAL10 4.5 14.4 1.0 CA B:ALA18 4.5 15.3 1.0 CG2 B:ILE17 4.5 18.1 1.0 O B:SER16 4.7 15.3 1.0 CE B:MET21 4.7 17.3 1.0 CA A:THR13 4.7 20.9 1.0 O B:HOH442 4.8 21.0 1.0 C A:PRO12 4.8 15.8 1.0 CA A:CA209 4.8 22.4 1.0 CA A:PRO12 4.9 15.1 1.0 CD1 B:ILE93 5.0 19.3 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of A Variable Region Segment of Leptospira Host- Interacting Outer Surface Protein, Liga


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 A Variable Region Segment of Leptospira Host- Interacting Outer Surface Protein, Liga within 5.0Å range: probe atom residue distance (Å) B Occ B:I202 b:14.3 occ:0.80 OG1 B:THR13 3.2 25.4 1.0 O B:HOH425 3.4 26.1 1.0 N A:ALA18 3.6 13.5 1.0 CB B:SER11 3.9 15.8 1.0 CG A:MET21 4.1 13.6 1.0 CA A:ILE17 4.1 16.7 1.0 O B:HOH440 4.2 31.3 1.0 CB A:ALA18 4.2 12.5 1.0 CB A:MET21 4.3 11.5 1.0 CB B:THR13 4.3 25.9 1.0 N B:THR13 4.4 20.1 1.0 CG1 A:ILE17 4.4 26.5 1.0 C A:ILE17 4.4 15.6 1.0 CA B:SER11 4.4 14.7 1.0 O B:VAL10 4.5 13.9 1.0 O A:SER16 4.6 18.7 1.0 CA A:ALA18 4.6 11.9 1.0 CE A:MET21 4.6 16.4 1.0 CB A:ILE17 4.8 19.3 1.0 CD1 A:ILE93 4.8 16.3 1.0 O B:HOH441 4.8 14.8 1.0 O A:HOH382 4.9 25.5 1.0 CA B:CA201 4.9 21.6 1.0 C B:PRO12 4.9 17.4 1.0 CA B:THR13 5.0 23.4 1.0 CA B:PRO12 5.0 15.8 1.0

P.Kumar, P.Vyas, S.M.Faisal, Y.F.Chang, M.Akif. Crystal Structure of A Variable Region Segment of Leptospira Host-Interacting Outer Surface Protein, Liga, Reveals the Orientation of Ig-Like Domains. Int.J.Biol.Macromol. 25445 2023.
ISSN: ISSN 0141-8130
PubMed: 37336372
DOI: 10.1016/J.IJBIOMAC.2023.125445