Magnesium in PDB 6geh: Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility.

The structure of Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility., PDB code: 6geh was solved by I.B.Trindade, J.P.M.Silva, P.Matias, E.Moe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.62 / 1.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.098, 77.753, 44.917, 90.00, 109.64, 90.00
R / Rfree (%)	14.5 / 17.4

The structure of Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility. also contains other interesting chemical elements:

Sodium

(Na)

24 atoms

The binding sites of Magnesium atom in the Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility. (pdb code 6geh). 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 and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility., PDB code: 6geh:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:18.4 occ:1.00 HO3' A:FAD635 2.0 14.5 1.0 H62A A:FAD635 2.5 19.9 1.0 HB A:VAL92 2.7 13.2 1.0 O3' A:FAD635 2.7 12.1 1.0 NA A:NA628 2.8 18.0 1.0 O2 A:FAD635 2.8 9.9 1.0 HE1 A:HIS96 2.9 17.7 1.0 HG22 A:THR138 3.1 13.4 1.0 N6A A:FAD635 3.1 16.6 1.0 N1 A:FAD635 3.1 9.9 1.0 H2' A:FAD635 3.3 13.8 1.0 C2 A:FAD635 3.4 9.9 1.0 H1'2 A:FAD635 3.4 12.8 1.0 H61A A:FAD635 3.5 19.9 1.0 H5'1 A:FAD635 3.6 16.1 1.0 CB A:VAL92 3.6 11.0 1.0 H5'2 A:FAD635 3.6 16.1 1.0 CE1 A:HIS96 3.6 14.8 1.0 HH A:TYR75 3.7 14.5 1.0 HG21 A:THR138 3.8 13.4 1.0 H A:VAL92 3.8 12.0 1.0 C3' A:FAD635 3.8 12.1 1.0 CG2 A:THR138 3.9 11.2 1.0 C2' A:FAD635 3.9 11.5 1.0 N7A A:FAD635 4.0 16.3 1.0 HG21 A:VAL92 4.0 13.4 1.0 HE1 A:TYR75 4.0 12.8 1.0 HG23 A:VAL92 4.0 13.4 1.0 C5' A:FAD635 4.0 13.4 1.0 C6A A:FAD635 4.1 16.9 1.0 C1' A:FAD635 4.1 10.7 1.0 CG2 A:VAL92 4.1 11.1 1.0 HG11 A:VAL92 4.3 15.1 1.0 HE2 A:HIS96 4.3 17.3 1.0 OH A:TYR75 4.3 12.1 1.0 C5A A:FAD635 4.3 15.3 1.0 NE2 A:HIS96 4.3 14.4 1.0 CG1 A:VAL92 4.4 12.6 1.0 C10 A:FAD635 4.4 9.9 1.0 N A:VAL92 4.4 10.0 1.0 HG23 A:THR138 4.5 13.4 1.0 HG12 A:VAL92 4.5 15.1 1.0 HB A:THR138 4.5 13.4 1.0 CA A:VAL92 4.5 11.5 1.0 ND1 A:HIS96 4.5 14.9 1.0 C4' A:FAD635 4.6 13.2 1.0 O A:VAL92 4.6 11.6 1.0 H3' A:FAD635 4.6 14.5 1.0 CE1 A:TYR75 4.6 10.7 1.0 H21 A:DMS607 4.6 18.7 0.5 H12 A:GOL634 4.7 28.5 0.5 HB A:THR101 4.7 15.6 1.0 N3 A:FAD635 4.8 9.5 1.0 CB A:THR138 4.8 11.1 1.0 N10 A:FAD635 4.8 10.1 1.0 H1'1 A:FAD635 4.8 12.8 1.0 CZ A:TYR75 4.8 10.8 1.0 C A:VAL92 5.0 11.8 1.0

Magnesium binding site 2 out of 4 in the Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:21.4 occ:1.00 H A:LYS95 2.0 19.3 1.0 H A:HIS96 2.4 19.9 1.0 HA A:ILE93 2.7 16.3 1.0 HG12 A:VAL92 2.8 15.1 1.0 ND1 A:HIS96 2.8 14.9 1.0 N A:LYS95 2.9 16.1 1.0 OG1 A:THR101 3.0 13.3 1.0 N A:HIS96 3.0 16.6 1.0 HB2 A:LYS95 3.1 20.0 1.0 H A:ASN94 3.1 18.1 1.0 C A:ILE93 3.2 14.3 1.0 N A:ASN94 3.2 15.1 1.0 HG1 A:THR101 3.2 15.9 1.0 CE1 A:HIS96 3.3 14.8 1.0 CA A:ILE93 3.3 13.6 1.0 HE1 A:HIS96 3.3 17.7 1.0 HG21 A:THR101 3.4 15.9 1.0 CA A:LYS95 3.5 16.9 1.0 O A:HIS96 3.6 18.2 1.0 O A:VAL92 3.6 11.6 1.0 C A:LYS95 3.7 17.7 1.0 N A:ILE93 3.7 12.4 1.0 CG A:HIS96 3.7 14.9 1.0 CG1 A:VAL92 3.7 12.6 1.0 CB A:LYS95 3.8 16.6 1.0 O A:ILE93 3.8 14.1 1.0 C A:VAL92 3.8 11.8 1.0 CB A:THR101 3.9 13.0 1.0 C A:ASN94 3.9 16.9 1.0 NA A:NA620 3.9 25.3 1.0 HB A:THR101 3.9 15.6 1.0 CA A:HIS96 3.9 16.2 1.0 HG11 A:VAL92 4.0 15.1 1.0 CA A:ASN94 4.0 16.3 1.0 CG2 A:THR101 4.0 13.3 1.0 C A:HIS96 4.1 17.5 1.0 HG13 A:VAL92 4.2 15.1 1.0 H A:ILE93 4.2 14.9 1.0 CB A:HIS96 4.2 16.1 1.0 NE2 A:HIS96 4.3 14.4 1.0 HB3 A:LYS95 4.4 20.0 1.0 HG23 A:THR101 4.4 15.9 1.0 HB3 A:HIS96 4.4 19.3 1.0 HA A:ASN94 4.4 19.6 1.0 CD2 A:HIS96 4.5 14.8 1.0 HA A:LYS95 4.5 20.3 1.0 HB A:VAL92 4.5 13.2 1.0 HG2 A:LYS95 4.6 21.2 1.0 CB A:VAL92 4.6 11.0 1.0 CB A:ILE93 4.7 14.2 1.0 O A:LYS95 4.8 18.8 1.0 HA A:HIS96 4.8 19.4 1.0 CG A:LYS95 4.8 17.6 1.0 CA A:VAL92 4.8 11.5 1.0 HB A:ILE93 4.8 17.0 1.0 HG22 A:THR101 4.9 15.9 1.0 HE2 A:HIS96 4.9 17.3 1.0 HG22 A:ILE93 4.9 17.1 1.0 O A:HOH766 5.0 38.4 1.0

Magnesium binding site 3 out of 4 in the Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:20.8 occ:1.00 H A:GLN35 2.1 14.0 1.0 HA3 A:GLY33 2.5 13.9 1.0 HG3 A:GLN35 2.6 21.4 1.0 O A:LEU13 2.7 15.8 1.0 HB2 A:GLN35 2.7 19.1 1.0 O A:HOH1071 2.9 26.5 1.0 N A:GLN35 3.0 11.7 1.0 H A:GLU34 3.0 12.4 0.6 H A:GLU34 3.0 13.1 0.4 N A:GLU34 3.2 10.9 0.4 N A:GLU34 3.2 10.4 0.6 CG A:GLN35 3.2 17.8 1.0 CA A:GLY33 3.3 11.6 1.0 CB A:GLN35 3.3 15.9 1.0 C A:GLY33 3.3 11.0 1.0 HG2 A:GLN35 3.3 21.4 1.0 HA A:THR14 3.4 13.7 1.0 HE1 A:TYR15 3.4 21.2 0.6 HA2 A:GLY33 3.6 13.9 1.0 NA A:NA622 3.6 25.4 1.0 HD1 A:TYR15 3.6 19.4 0.6 CA A:GLN35 3.7 13.7 1.0 HB3 A:GLU34 3.8 16.0 0.4 C A:LEU13 3.9 12.9 1.0 C A:GLU34 3.9 11.2 0.4 C A:GLU34 4.0 11.4 0.6 CA A:GLU34 4.0 11.4 0.4 CA A:GLU34 4.0 11.2 0.6 HB2 A:GLU34 4.1 15.2 0.6 O A:GLY33 4.1 11.1 1.0 CE1 A:TYR15 4.1 17.7 0.6 H A:LEU36 4.2 12.9 1.0 HB3 A:GLN35 4.2 19.1 1.0 CD1 A:TYR15 4.2 16.2 0.6 O A:SER32 4.3 12.0 0.3 CA A:THR14 4.3 11.4 1.0 O A:SER32 4.3 12.1 0.7 HA A:GLN35 4.4 16.4 1.0 HD1 A:TYR15 4.4 20.6 0.4 CB A:GLU34 4.4 13.3 0.4 N A:GLY33 4.5 11.5 1.0 HB3 A:LEU13 4.5 18.9 1.0 N A:THR14 4.5 12.4 1.0 HD12 A:LEU13 4.6 21.9 1.0 HD13 A:LEU13 4.6 21.9 1.0 CD A:GLN35 4.6 15.6 1.0 CB A:GLU34 4.6 12.6 0.6 HG22 A:THR14 4.7 14.6 1.0 C A:GLN35 4.7 12.7 1.0 N A:LEU36 4.7 10.8 1.0 C A:SER32 4.8 11.3 0.3 C A:SER32 4.8 11.2 0.7 HA A:GLU34 4.9 13.7 0.4 HA A:GLU34 4.9 13.5 0.6 O A:HOH727 4.9 30.9 1.0 HB2 A:GLU34 5.0 16.0 0.4 H A:LEU13 5.0 15.2 1.0 H A:TYR15 5.0 13.4 0.6

Magnesium binding site 4 out of 4 in the Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacterium Shewanella Reveals Unanticipated Functional Versatility. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:19.3 occ:1.00 O A:ALA145 2.8 9.7 1.0 O A:HOH950 2.8 15.1 0.5 HG2 A:ARG149 2.9 14.7 1.0 O A:HOH950 2.9 23.9 0.5 HA A:ALA145 2.9 11.1 1.0 HB2 A:LYS148 3.0 13.8 0.4 O A:HOH939 3.0 11.2 0.2 HB2 A:LYS148 3.2 11.8 0.6 HE3 A:LYS148 3.2 17.0 0.6 HB1 A:ALA145 3.3 12.4 1.0 HD3 A:ARG149 3.3 16.2 1.0 HB2 A:GLN44 3.4 22.9 0.6 C A:ALA145 3.5 9.1 1.0 CA A:ALA145 3.5 9.3 1.0 CG A:ARG149 3.6 12.2 1.0 HD2 A:LYS148 3.6 18.3 0.4 HB3 A:LYS148 3.7 13.8 0.4 CB A:LYS148 3.8 11.5 0.4 HG3 A:ARG149 3.8 14.7 1.0 CB A:ALA145 3.8 10.4 1.0 CD A:ARG149 3.8 13.5 1.0 HB2 A:GLN44 4.0 19.8 0.5 CB A:LYS148 4.0 9.8 0.6 HD2 A:ARG149 4.1 16.2 1.0 HB3 A:LYS148 4.1 11.8 0.6 HB3 A:GLN44 4.1 22.9 0.6 CE A:LYS148 4.1 14.2 0.6 HD3 A:LYS148 4.2 18.3 0.4 CB A:GLN44 4.2 19.1 0.6 HE21 A:GLN44 4.2 20.6 0.5 HB2 A:ALA145 4.2 12.4 1.0 CD A:LYS148 4.3 15.2 0.4 HH11 A:ARG149 4.3 20.9 1.0 O A:HOH982 4.3 19.1 1.0 HE2 A:LYS148 4.5 17.0 0.6 CD A:GLN44 4.5 22.6 0.6 HG2 A:GLN44 4.5 26.1 0.6 O A:HOH939 4.6 24.2 0.8 CG A:LYS148 4.6 13.0 0.4 HB3 A:ALA145 4.6 12.4 1.0 HZ3 A:LYS148 4.6 21.2 0.6 O A:GLN44 4.7 15.1 0.5 H A:ARG149 4.7 12.0 0.4 CG A:GLN44 4.7 21.8 0.6 O A:HOH972 4.7 49.5 1.0 H A:LYS148 4.7 12.2 0.7 H A:ARG149 4.7 12.0 0.6 C A:LYS148 4.7 10.3 0.6 NE2 A:GLN44 4.7 24.0 0.6 N A:ARG149 4.8 10.0 1.0 N A:LEU146 4.8 9.1 1.0 OE1 A:GLN44 4.8 22.8 0.6 CA A:LYS148 4.8 10.8 0.4 HZ1 A:LYS148 4.8 21.2 0.6 NZ A:LYS148 4.8 17.6 0.6 N A:ALA145 4.8 8.8 1.0 C A:LYS148 4.8 10.1 0.4 CA A:LYS148 4.8 9.9 0.6 O A:ASP144 4.9 9.6 1.0 HE21 A:GLN44 4.9 28.8 0.6 CB A:GLN44 4.9 16.5 0.5 CB A:ARG149 4.9 12.0 1.0 HG3 A:LYS148 4.9 15.6 0.4 NE2 A:GLN44 4.9 17.1 0.5 HB3 A:GLN44 5.0 19.8 0.5 CD A:LYS148 5.0 13.4 0.6 HE22 A:GLN44 5.0 28.8 0.6

I.B.Trindade, J.M.Silva, B.M.Fonseca, T.Catarino, M.Fujita, P.M.Matias, E.Moe, R.O.Louro. Structure and Reactivity of A Siderophore-Interacting Protein From the Marine Bacteriumshewanellareveals Unanticipated Functional Versatility. J. Biol. Chem. V. 294 157 2019.
ISSN: ESSN 1083-351X
PubMed: 30420426
DOI: 10.1074/JBC.RA118.005041