Magnesium in PDB 6zhv: Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic

The structure of Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic, PDB code: 6zhv was solved by C.F.Sousa, J.Morais-Cabral, P.Gameiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.30 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.029, 112.005, 131.568, 90, 90, 90
R / Rfree (%)	19.8 / 23.3

The structure of Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic also contains other interesting chemical elements:

Sodium

(Na)

12 atoms

The binding sites of Magnesium atom in the Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic (pdb code 6zhv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic, PDB code: 6zhv:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:32.6 occ:1.00 O B:HOH539 2.3 29.3 1.0 OD1 B:ASN274 2.3 30.0 1.0 O B:ASN229 2.3 35.3 1.0 OD1 B:ASN258 2.4 29.4 1.0 O B:HOH546 2.5 35.8 1.0 O B:HOH552 2.5 38.9 1.0 CG B:ASN274 3.3 31.1 1.0 CG B:ASN258 3.3 34.6 1.0 C B:ASN229 3.5 34.2 1.0 ND2 B:ASN258 3.6 30.6 1.0 CB B:ASN274 3.7 25.5 1.0 N B:ASN229 3.9 34.2 1.0 CA B:ASN274 4.0 22.9 1.0 O B:ASN274 4.1 22.7 1.0 CA B:ASN229 4.2 36.5 1.0 ND2 B:ASN274 4.4 30.1 1.0 N B:GLY230 4.5 34.7 1.0 C B:ASN274 4.5 22.1 1.0 CB B:ASN229 4.6 37.8 1.0 ND2 B:ASN229 4.6 53.0 1.0 CB B:ASN258 4.8 25.0 1.0 CA B:GLY230 4.8 37.1 1.0 CG B:ASN229 5.0 44.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:36.6 occ:1.00 OD1 A:ASN274 2.0 33.5 1.0 O A:ASN229 2.3 41.2 1.0 OD1 A:ASN258 2.3 27.8 1.0 O A:HOH542 2.5 38.4 1.0 CG A:ASN274 3.0 36.6 1.0 C A:ASN229 3.3 40.5 1.0 CG A:ASN258 3.3 35.5 1.0 CB A:ASN274 3.4 33.8 1.0 N A:ASN229 3.6 42.9 1.0 ND2 A:ASN258 3.7 34.2 1.0 CA A:ASN274 3.8 28.5 1.0 CA A:ASN229 3.9 42.6 1.0 ND2 A:ASN274 4.1 36.6 1.0 CB A:ASN229 4.2 48.1 1.0 O A:ASN274 4.2 29.2 1.0 N A:GLY230 4.4 42.4 1.0 C A:ASN274 4.5 30.7 1.0 CB A:ASN258 4.7 30.3 1.0 CA A:GLY230 4.8 37.9 1.0 C A:GLY228 4.8 38.5 1.0 ND2 A:ASN229 4.8 57.0 1.0 N A:ASN274 5.0 27.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:30.4 occ:1.00 O C:HOH550 2.3 25.9 1.0 OD1 C:ASN274 2.3 27.2 1.0 O C:ASN229 2.3 33.2 1.0 O C:HOH559 2.4 38.8 1.0 OD1 C:ASN258 2.5 20.7 1.0 O C:HOH549 2.6 37.4 1.0 CG C:ASN258 3.3 26.2 1.0 CG C:ASN274 3.3 26.9 1.0 ND2 C:ASN258 3.4 28.3 1.0 C C:ASN229 3.5 28.7 1.0 CB C:ASN274 3.8 24.9 1.0 N C:ASN229 3.9 24.3 1.0 CA C:ASN274 4.1 22.8 1.0 CA C:ASN229 4.2 30.5 1.0 O C:ASN274 4.3 23.2 1.0 ND2 C:ASN274 4.4 28.6 1.0 N C:GLY230 4.5 28.7 1.0 C C:ASN274 4.6 21.9 1.0 CB C:ASN229 4.6 32.0 1.0 CA C:GLY230 4.6 28.9 1.0 CB C:ASN258 4.7 22.5 1.0

C.F.Sousa, J.Morais-Cabral, P.Gameiro. Crystal Structure of Ompf Porin Soaked in Ciprofloxacin Metaloantibiotic To Be Published.