Chlorine in PDB 6tfq: Structure in P3212 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10

The structure of Structure in P3212 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10, PDB code: 6tfq was solved by S.Morera, A.Vigouroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.84 / 2.05
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	155.980, 155.980, 181.750, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 19.9

The binding sites of Chlorine atom in the Structure in P3212 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10 (pdb code 6tfq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure in P3212 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10, PDB code: 6tfq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure in P3212 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure in P3212 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl617 b:60.7 occ:1.00 OG A:SER40 2.9 42.4 1.0 O A:HOH755 2.9 52.3 1.0 O A:HOH944 3.0 45.8 1.0 O A:HOH801 3.0 40.6 1.0 CD2 A:HIS395 3.6 42.1 1.0 OG1 A:THR53 3.7 42.5 1.0 CB A:THR53 3.8 42.0 1.0 CB A:SER40 3.8 43.1 1.0 CG2 A:THR53 3.9 40.3 1.0 O A:ASP42 4.1 47.2 1.0 CA A:SER40 4.3 39.9 1.0 CB A:SER55 4.3 38.7 1.0 CG A:HIS395 4.5 41.2 1.0 CB A:HIS395 4.6 38.5 1.0 N A:GLU41 4.6 40.3 1.0 CB A:ALA396 4.7 40.5 1.0 O A:HOH702 4.7 38.9 1.0 NE2 A:HIS395 4.7 41.6 1.0 OE2 A:GLU394 4.7 47.5 1.0 N A:ALA396 4.7 39.7 1.0 O A:HOH731 4.7 48.2 1.0

Chlorine binding site 2 out of 2 in the Structure in P3212 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure in P3212 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl615 b:80.7 occ:1.00 O B:HOH1029 2.9 52.9 1.0 O B:HOH764 2.9 60.6 1.0 O B:HOH1040 3.0 61.6 1.0 CB B:ARG131 3.6 50.8 1.0 CG B:ARG131 3.7 50.5 1.0 CE B:LYS125 3.7 52.6 1.0 CZ B:PHE181 3.8 52.2 1.0 CA B:ARG131 3.8 53.0 1.0 CE2 B:PHE50 4.0 53.3 1.0 NZ B:LYS125 4.0 53.1 1.0 O B:ARG131 4.1 53.5 1.0 CE2 B:PHE181 4.2 55.5 1.0 O B:HOH883 4.3 57.6 1.0 CD B:ARG131 4.3 52.5 1.0 CZ B:PHE50 4.4 51.9 1.0 C B:ARG131 4.4 54.9 1.0 O B:LYS130 4.7 58.4 1.0 O B:HOH710 4.7 47.7 1.0 CE1 B:PHE181 4.8 52.6 1.0 OD2 B:ASP47 4.8 52.1 1.0 O B:HOH880 4.9 65.5 1.0 CD B:LYS125 5.0 52.2 1.0

A.Vigouroux, J.Dore, L.Marty, M.Aumont-Nicaise, P.Legrand, Y.Dessaux, L.Vial, S.Morera. Import Pathways of the Mannityl-Opines Into the Bacterial Pathogen Agrobacterium Tumefaciens: Structural, Affinity and in Vivo Approaches. Biochem.J. 2020.
ISSN: ESSN 1470-8728
PubMed: 31922182
DOI: 10.1042/BCJ20190886