Magnesium in PDB 6tfx: Structure in P21 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10

The structure of Structure in P21 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10, PDB code: 6tfx 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)	47.56 / 1.56
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.050, 77.930, 104.040, 90.00, 107.46, 90.00
R / Rfree (%)	16.3 / 18.2

The binding sites of Magnesium atom in the Structure in P21 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10 (pdb code 6tfx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure in P21 Form of the Pbp/Sbp Moaa in Complex with Mannopinic Acid From A.Tumefacien R10, PDB code: 6tfx:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure in P21 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 Magnesium with other atoms in the Mg binding site number 1 of Structure in P21 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:Mg604 b:24.0 occ:1.00 O A:HOH985 2.9 36.9 1.0 O A:HOH837 3.0 23.5 1.0 OG A:SER40 3.0 25.9 1.0 O A:HOH859 3.2 21.8 1.0 OG1 A:THR53 3.6 20.8 1.0 CD2 A:HIS395 3.7 17.6 1.0 CB A:THR53 3.8 21.4 1.0 CB A:SER40 3.8 20.4 1.0 CG2 A:THR53 4.0 17.8 1.0 CB A:SER55 4.1 19.2 1.0 O A:HOH793 4.2 37.9 1.0 O A:ASP42 4.2 23.1 1.0 CA A:SER40 4.3 19.5 1.0 CB A:HIS395 4.4 14.8 1.0 CG A:HIS395 4.5 16.7 1.0 OE2 A:GLU394 4.6 24.9 1.0 N A:ALA396 4.7 18.3 1.0 O A:HOH789 4.7 25.4 1.0 O A:HOH790 4.8 22.7 1.0 N A:GLU41 4.8 20.4 1.0 CB A:ALA396 4.8 21.0 1.0 NE2 A:HIS395 4.9 16.9 1.0

Magnesium binding site 2 out of 4 in the Structure in P21 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 Magnesium with other atoms in the Mg binding site number 2 of Structure in P21 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:Mg605 b:12.1 occ:1.00 SG A:CYS481 1.8 27.8 1.0 SG A:CYS446 2.2 24.4 1.0 CB A:CYS446 2.8 19.0 1.0 CB A:CYS481 2.9 20.9 1.0 O A:HOH1040 2.9 25.3 1.0 CA A:CYS446 3.2 19.1 1.0 CG1 A:VAL448 3.5 23.6 1.0 N A:ASN447 4.0 18.6 1.0 C A:CYS446 4.1 21.1 1.0 CA A:CYS481 4.2 17.5 1.0 CB A:VAL448 4.3 23.6 1.0 N A:VAL448 4.4 20.4 1.0 N A:CYS446 4.4 19.6 1.0 O A:HOH1061 4.5 41.1 1.0 CG2 A:ILE476 4.6 14.8 1.0 CA A:ILE476 4.6 14.0 1.0 CD1 A:ILE285 4.7 23.9 1.0 CG1 A:ILE476 4.7 16.9 1.0 N A:CYS481 4.7 15.9 1.0 CB A:ASN479 4.8 18.8 1.0 OG A:SER444 4.8 17.2 1.0 CB A:ILE476 4.8 16.4 1.0 CA A:VAL448 4.9 19.1 1.0 O A:ILE476 5.0 17.2 1.0

Magnesium binding site 3 out of 4 in the Structure in P21 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 Magnesium with other atoms in the Mg binding site number 3 of Structure in P21 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:Mg604 b:13.3 occ:1.00 SG B:CYS481 1.8 30.0 1.0 SG B:CYS446 2.1 23.9 1.0 CB B:CYS446 2.8 19.6 1.0 CB B:CYS481 2.8 23.8 1.0 O B:HOH1013 2.9 22.7 1.0 CA B:CYS446 3.3 18.9 1.0 CG1 B:VAL448 3.5 24.8 1.0 N B:ASN447 4.0 19.6 1.0 C B:CYS446 4.1 22.0 1.0 CA B:CYS481 4.2 20.3 1.0 CB B:VAL448 4.3 25.7 1.0 N B:VAL448 4.4 20.8 1.0 N B:CYS446 4.4 17.8 1.0 CG2 B:ILE476 4.6 15.3 1.0 CA B:ILE476 4.6 13.8 1.0 CD1 B:ILE285 4.6 23.9 1.0 N B:CYS481 4.7 18.0 1.0 CG1 B:ILE476 4.7 15.5 1.0 CB B:ASN479 4.8 18.3 1.0 OG B:SER444 4.8 18.1 1.0 CB B:ILE476 4.9 16.1 1.0 CA B:VAL448 4.9 20.7 1.0 O B:ILE476 5.0 17.5 1.0

Magnesium binding site 4 out of 4 in the Structure in P21 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 Magnesium with other atoms in the Mg binding site number 4 of Structure in P21 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:Mg605 b:27.2 occ:1.00 OH B:TYR519 3.0 23.2 1.0 N B:GLY501 3.5 18.8 1.0 CA B:GLY501 3.5 20.1 1.0 CE1 B:TYR519 3.7 21.5 1.0 CZ B:TYR519 3.8 23.9 1.0 C B:GLY501 3.9 21.3 1.0 N B:PHE502 4.1 17.6 1.0 O B:HOH933 4.3 34.2 1.0 O B:GLY501 4.4 20.6 1.0 N B:TRP500 4.6 18.4 1.0 C B:TRP500 4.8 20.0 1.0 CA B:GLY499 4.8 18.5 1.0 C B:GLY499 4.9 20.2 1.0 O B:HOH891 5.0 28.8 1.0 CD1 B:TYR519 5.0 21.2 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