Magnesium in PDB 7vu0: Chitoporin From Escherichia Coli

The structure of Chitoporin From Escherichia Coli, PDB code: 7vu0 was solved by W.Suginta, H.S.M.Soysa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.25 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	96.077, 58.864, 134.709, 90, 110.83, 90
R / Rfree (%)	21.5 / 25.3

The binding sites of Magnesium atom in the Chitoporin From Escherichia Coli (pdb code 7vu0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Chitoporin From Escherichia Coli, PDB code: 7vu0:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Chitoporin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Chitoporin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg526 b:46.6 occ:1.00 N A:ASP272 2.7 38.3 1.0 O A:ARG269 2.8 32.4 1.0 O9 A:C8E524 3.1 61.9 1.0 CA A:ASP272 3.2 42.2 1.0 OG A:SER231 3.5 56.6 1.0 C A:ARG269 3.6 37.7 1.0 N A:ALA271 3.6 42.7 1.0 CB A:SER231 3.7 53.0 1.0 CB A:ASP272 3.8 48.8 1.0 C A:ALA271 3.8 38.0 1.0 C A:ALA270 3.9 39.9 1.0 CG A:ARG269 4.0 38.9 1.0 N A:ALA270 4.1 32.1 1.0 CA A:ALA270 4.2 38.9 1.0 CA A:ALA271 4.2 38.0 1.0 CB A:ARG269 4.3 34.2 1.0 C10 A:C8E524 4.3 51.5 1.0 O A:ALA270 4.4 37.8 1.0 OD1 A:ASP272 4.5 57.8 1.0 C A:ASP272 4.5 42.8 1.0 CA A:ARG269 4.5 32.6 1.0 CG A:ASP272 4.6 52.8 1.0 C11 A:C8E524 4.7 48.3 1.0 CD A:ARG269 4.8 37.8 1.0 O A:ALA271 4.9 40.3 1.0 N A:VAL273 4.9 35.6 1.0

Magnesium binding site 2 out of 8 in the Chitoporin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Chitoporin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg527 b:37.7 occ:1.00 OH A:TYR331 3.0 42.4 1.0 HG21 A:VAL273 3.1 55.6 1.0 O A:HOH729 3.1 30.5 1.0 HG11 A:VAL273 3.6 54.6 1.0 CB A:ASN335 3.8 30.6 1.0 ND2 A:ASN335 3.8 32.5 1.0 CE1 A:TYR331 3.9 36.2 1.0 CZ A:TYR331 3.9 40.0 1.0 CG2 A:VAL273 4.0 46.4 1.0 CG A:ASN335 4.3 32.5 1.0 NE1 A:TRP336 4.4 46.0 1.0 HG22 A:VAL273 4.4 55.6 1.0 CG1 A:VAL273 4.4 45.5 1.0 HG23 A:VAL273 4.6 55.6 1.0 CD1 A:TRP336 4.7 43.4 1.0 CB A:VAL273 4.7 40.8 1.0 HG13 A:VAL273 4.7 54.6 1.0 CA A:ASN335 4.9 32.3 1.0

Magnesium binding site 3 out of 8 in the Chitoporin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Chitoporin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg528 b:31.0 occ:1.00 OD2 A:ASP421 1.8 48.8 1.0 O A:HOH609 2.0 50.7 1.0 OD1 A:ASP421 2.3 46.5 1.0 O A:HOH671 2.3 40.6 1.0 CG A:ASP421 2.3 43.7 1.0 OD1 A:ASP403 2.4 43.4 1.0 O A:ASN404 2.6 50.3 1.0 NZ A:LYS23 3.6 45.3 1.0 CG A:ASP403 3.6 47.9 1.0 C A:ASN404 3.7 42.9 1.0 N A:ASN404 3.8 40.7 1.0 CB A:ASP421 3.8 37.0 1.0 HB3 A:ASN404 3.8 50.4 1.0 OE1 A:GLN420 4.1 42.6 1.0 CA A:ASN404 4.2 40.9 1.0 OD2 A:ASP403 4.3 54.6 1.0 C A:ASP403 4.4 39.9 1.0 CA A:ASP403 4.5 40.5 1.0 CB A:ASN404 4.5 42.0 1.0 CE A:LYS23 4.5 47.6 1.0 CB A:ASP403 4.6 45.6 1.0 N A:HIS405 4.8 33.9 1.0 O A:SER406 4.8 52.0 1.0 CA A:ASP421 4.8 41.0 1.0 N A:ASP421 4.9 43.8 1.0

Magnesium binding site 4 out of 8 in the Chitoporin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Chitoporin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg529 b:30.2 occ:1.00 O B:ASN404 2.2 32.6 1.0 OD2 B:ASP421 2.3 40.8 1.0 OD1 B:ASP403 2.4 36.4 1.0 O B:HOH708 2.5 38.0 1.0 O B:HOH712 2.8 39.2 1.0 OD1 B:ASP421 2.8 38.5 1.0 CG B:ASP421 2.9 39.1 1.0 C B:ASN404 3.3 28.1 1.0 CG B:ASP403 3.6 41.2 1.0 N B:ASN404 3.8 34.5 1.0 CA B:ASN404 4.1 32.3 1.0 N B:HIS405 4.1 28.7 1.0 CA B:HIS405 4.2 35.6 1.0 OD2 B:ASP403 4.3 44.1 1.0 O B:SER406 4.3 34.3 1.0 C B:ASP403 4.4 32.7 1.0 OE1 B:GLN420 4.4 37.2 1.0 CB B:ASP421 4.5 33.9 1.0 NZ B:LYS23 4.5 36.7 1.0 CA B:ASP403 4.6 34.2 1.0 CB B:ASN404 4.6 29.3 1.0 CB B:ASP403 4.7 36.4 1.0 C B:HIS405 4.8 38.0 1.0 N B:SER406 4.8 37.2 1.0

Magnesium binding site 5 out of 8 in the Chitoporin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Chitoporin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg530 b:28.8 occ:1.00 OD1 B:ASP95 2.6 26.6 1.0 O B:ALA80 2.7 18.0 1.0 N B:GLU78 2.8 16.4 1.0 N B:ASN77 3.3 17.3 1.0 CB B:PRO76 3.3 20.0 1.0 CA B:GLU78 3.4 19.1 1.0 C B:ALA80 3.4 21.8 1.0 CB B:TRP170 3.5 14.9 1.0 N B:SER82 3.6 17.9 1.0 C B:PHE81 3.7 18.9 1.0 OD1 B:ASN77 3.7 19.7 1.0 C B:PRO76 3.8 20.2 1.0 C B:ASN77 3.8 18.6 1.0 CA B:PRO76 3.9 23.3 1.0 CG B:ASP95 3.9 25.3 1.0 C B:GLU78 3.9 18.0 1.0 N B:ILE79 4.0 18.3 1.0 N B:ALA80 4.0 16.0 1.0 N B:PHE81 4.0 18.9 1.0 O B:PHE81 4.0 17.5 1.0 CA B:PHE81 4.0 18.0 1.0 CA B:ASN77 4.1 20.5 1.0 CG B:TRP170 4.2 18.6 1.0 CA B:ALA80 4.2 16.3 1.0 CA B:SER82 4.2 14.5 1.0 CG B:ASN77 4.3 18.2 1.0 CB B:ALA80 4.6 20.0 1.0 CD1 B:TRP170 4.6 15.9 1.0 CG B:PRO76 4.6 20.8 1.0 CA B:TRP170 4.6 16.5 1.0 OD2 B:ASP95 4.6 29.0 1.0 O B:TRP170 4.7 18.9 1.0 O B:PRO76 4.7 21.3 1.0 C B:ILE79 4.7 16.0 1.0 CB B:SER82 4.8 13.0 1.0 CB B:ASN77 4.8 18.5 1.0 O B:GLU78 4.8 19.0 1.0 CB B:GLU78 4.8 19.3 1.0 CB B:ASP95 4.9 21.4 1.0 O B:ASN77 4.9 20.1 1.0 ND2 B:ASN77 4.9 19.4 1.0 CA B:ILE79 5.0 15.9 1.0

Magnesium binding site 6 out of 8 in the Chitoporin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Chitoporin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg531 b:36.0 occ:1.00 O12 B:C8E524 2.9 64.3 1.0 O B:HOH774 3.2 29.9 1.0 OH B:TYR331 3.2 42.1 1.0 HG21 B:VAL273 3.3 49.4 1.0 HG11 B:VAL273 3.4 42.1 1.0 ND2 B:ASN335 3.7 36.6 1.0 CB B:ASN335 3.8 25.9 1.0 C10 B:C8E524 3.8 62.8 1.0 C11 B:C8E524 3.9 60.4 1.0 CE1 B:TYR331 4.0 35.1 1.0 CZ B:TYR331 4.0 38.9 1.0 CG2 B:VAL273 4.2 41.1 1.0 CG B:ASN335 4.3 27.4 1.0 CG1 B:VAL273 4.3 35.1 1.0 HG22 B:VAL273 4.5 49.4 1.0 HG13 B:VAL273 4.5 42.1 1.0 NE1 B:TRP336 4.6 42.2 1.0 CB B:VAL273 4.7 38.6 1.0 HG23 B:VAL273 4.8 49.4 1.0 CD1 B:TRP336 4.9 39.7 1.0 CA B:ASN335 5.0 29.9 1.0

Magnesium binding site 7 out of 8 in the Chitoporin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Chitoporin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg532 b:45.5 occ:1.00 O B:ARG269 2.6 31.1 1.0 O15 B:C8E525 2.7 63.3 1.0 N B:ASP272 2.8 35.0 1.0 CA B:ASP272 3.2 41.1 1.0 C B:ARG269 3.5 31.7 1.0 OG B:SER231 3.5 51.1 1.0 N B:ALA271 3.7 44.6 1.0 CB B:SER231 3.8 36.4 1.0 CB B:ASP272 3.8 52.1 1.0 C B:ALA270 3.9 38.9 1.0 C B:ALA271 3.9 36.9 1.0 CG B:ARG269 4.0 35.6 1.0 N B:ALA270 4.0 28.7 1.0 C14 B:C8E525 4.1 49.0 1.0 CA B:ALA270 4.1 36.8 1.0 CB B:ARG269 4.2 31.7 1.0 CA B:ALA271 4.3 34.6 1.0 O B:ALA270 4.4 32.8 1.0 CA B:ARG269 4.5 32.4 1.0 C B:ASP272 4.5 39.6 1.0 C13 B:C8E525 4.5 45.7 1.0 OD2 B:ASP272 4.6 59.6 1.0 CG B:ASP272 4.7 57.4 1.0 CD B:ARG269 4.9 40.4 1.0 N B:VAL273 4.9 34.3 1.0

Magnesium binding site 8 out of 8 in the Chitoporin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Chitoporin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg533 b:49.3 occ:1.00 O B:HOH888 2.7 122.9 1.0 NZ B:LYS284 3.0 43.0 1.0 NE1 B:TRP260 3.2 27.8 1.0 CD B:LYS284 3.6 31.7 1.0 O21 B:C8E507 3.7 58.9 1.0 CE B:LYS284 3.8 41.7 1.0 CD1 B:TRP260 4.1 28.5 1.0 CE2 B:TRP260 4.1 31.2 1.0 CZ2 B:TRP260 4.4 31.0 1.0 C20 B:C8E507 4.5 56.5 1.0 O B:HOH820 4.6 35.1 1.0 O B:HOH860 4.9 44.1 1.0 O B:THR258 4.9 27.1 1.0

W.Suginta, H.S.M.Soysa. Chitoporin From Escherichia Coli To Be Published.