Magnesium in PDB 7vu1: Chitoporin From Escherichia Coli Complex with Chitohexaose

The structure of Chitoporin From Escherichia Coli Complex with Chitohexaose, PDB code: 7vu1 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)	62.34 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	94.737, 58.551, 133.059, 90, 110.71, 90
R / Rfree (%)	20.9 / 24.8

The binding sites of Magnesium atom in the Chitoporin From Escherichia Coli Complex with Chitohexaose (pdb code 7vu1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Chitoporin From Escherichia Coli Complex with Chitohexaose, PDB code: 7vu1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Chitoporin From Escherichia Coli Complex with Chitohexaose


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 Complex with Chitohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg513 b:32.8 occ:1.00 OD2 A:ASP421 1.9 45.0 1.0 O A:HOH611 2.1 51.6 1.0 O A:HOH725 2.3 45.7 1.0 OD1 A:ASP421 2.3 49.7 1.0 OD1 A:ASP403 2.3 41.2 1.0 CG A:ASP421 2.4 44.3 1.0 O A:ASN404 2.5 52.7 1.0 HZ2 A:LYS23 2.9 67.3 1.0 CG A:ASP403 3.5 56.4 1.0 H A:ASN404 3.6 51.2 1.0 C A:ASN404 3.7 42.1 1.0 NZ A:LYS23 3.7 56.1 1.0 HA A:ASP403 3.9 51.2 1.0 CB A:ASP421 3.9 43.5 1.0 HZ3 A:LYS23 3.9 67.3 1.0 N A:ASN404 3.9 42.6 1.0 HZ1 A:LYS23 3.9 67.3 1.0 HB3 A:ASN404 3.9 56.6 1.0 OE1 A:GLN420 4.2 48.2 1.0 OD2 A:ASP403 4.2 54.8 1.0 HB3 A:ASP421 4.2 52.2 1.0 HB2 A:ASP421 4.3 52.2 1.0 H A:ASP421 4.3 53.9 1.0 CA A:ASN404 4.3 40.6 1.0 HA A:HIS405 4.3 55.0 1.0 HD2 A:LYS23 4.4 61.6 1.0 O A:SER406 4.4 54.5 1.0 CA A:ASP403 4.5 42.6 1.0 C A:ASP403 4.5 43.8 1.0 H A:SER406 4.6 58.6 1.0 CB A:ASP403 4.6 47.5 1.0 CB A:ASN404 4.6 47.1 1.0 HD2 A:HIS405 4.6 72.2 1.0 N A:HIS405 4.7 34.8 1.0 CE A:LYS23 4.8 52.8 1.0 CA A:ASP421 4.9 42.3 1.0 HA A:ASP421 4.9 50.8 1.0 N A:ASP421 4.9 44.9 1.0 HE3 A:LYS23 4.9 63.4 1.0 HE22 A:GLN420 4.9 53.9 1.0 CA A:HIS405 5.0 45.8 1.0

Magnesium binding site 2 out of 6 in the Chitoporin From Escherichia Coli Complex with Chitohexaose


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 Complex with Chitohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg514 b:41.4 occ:1.00 H A:ALA301 1.9 22.0 1.0 HE2 A:HIS131 2.2 31.3 1.0 O15 A:C8E507 2.6 58.0 1.0 N A:ALA301 2.8 18.4 1.0 NE2 A:HIS131 2.9 26.1 1.0 C14 A:C8E507 2.9 52.5 1.0 HA A:ALA301 3.0 23.6 1.0 HA A:TYR300 3.1 30.4 1.0 NH1 A:ARG295 3.2 28.3 1.0 HH11 A:ARG295 3.3 34.0 1.0 HH12 A:ARG295 3.3 34.0 1.0 HD1 A:TYR300 3.3 43.6 1.0 CA A:ALA301 3.4 19.6 1.0 CZ A:ARG295 3.5 28.6 1.0 HD3 A:ARG295 3.6 28.7 1.0 CE1 A:HIS131 3.7 24.9 1.0 HE1 A:HIS131 3.7 29.9 1.0 CD1 A:TYR300 3.7 36.3 1.0 C A:TYR300 3.8 21.2 1.0 CA A:TYR300 3.9 25.3 1.0 CD2 A:HIS131 3.9 28.5 1.0 C16 A:C8E507 3.9 40.3 1.0 NH2 A:ARG295 3.9 22.8 1.0 NE A:ARG295 4.0 26.7 1.0 HH22 A:ARG295 4.0 27.3 1.0 HD2 A:HIS131 4.0 34.2 1.0 H A:SER302 4.1 24.4 1.0 O A:HOH634 4.1 42.2 1.0 H161 A:C8E507 4.1 48.4 1.0 HE1 A:TYR300 4.2 45.2 1.0 CE1 A:TYR300 4.2 37.7 1.0 O A:SER303 4.3 18.9 1.0 CD A:ARG295 4.3 23.9 1.0 C A:ALA301 4.3 19.7 1.0 HZ2 A:TRP170 4.4 27.7 1.0 CG A:TYR300 4.4 24.9 1.0 H172 A:C8E507 4.4 58.4 1.0 HH21 A:ARG295 4.4 27.3 1.0 HE A:ARG295 4.5 32.1 1.0 HB2 A:ALA301 4.5 31.0 1.0 O A:THR299 4.5 21.1 1.0 N A:SER302 4.5 20.3 1.0 O7 C:NAG4 4.5 72.5 1.0 H162 A:C8E507 4.6 48.4 1.0 HD2 A:ARG295 4.6 28.7 1.0 CB A:ALA301 4.6 25.8 1.0 CB A:TYR300 4.7 27.6 1.0 HH2 A:TRP170 4.7 27.1 1.0 H A:SER303 4.7 27.8 1.0 C17 A:C8E507 4.8 48.7 1.0 ND1 A:HIS131 4.9 22.2 1.0 N A:TYR300 4.9 24.0 1.0 O A:TYR300 4.9 19.2 1.0 HB2 A:TYR300 5.0 33.1 1.0 O A:HOH790 5.0 55.6 1.0 H5 C:NAG3 5.0 67.1 1.0 CG A:HIS131 5.0 25.9 1.0

Magnesium binding site 3 out of 6 in the Chitoporin From Escherichia Coli Complex with Chitohexaose


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 Complex with Chitohexaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg513 b:30.8 occ:1.00 O B:HOH751 2.0 53.5 1.0 OD2 B:ASP421 2.1 43.1 1.0 O B:ASN404 2.3 36.9 1.0 OD1 B:ASP403 2.3 36.0 1.0 O B:HOH682 2.5 42.3 1.0 OD1 B:ASP421 2.5 42.1 1.0 O B:HOH752 2.5 41.7 1.0 CG B:ASP421 2.7 42.6 1.0 HZ2 B:LYS23 3.3 59.0 1.0 C B:ASN404 3.3 24.2 1.0 CG B:ASP403 3.5 51.3 1.0 H B:ASN404 3.5 51.3 1.0 HA B:HIS405 3.6 44.9 1.0 N B:ASN404 3.8 42.7 1.0 HA B:ASP403 3.9 43.8 1.0 HB3 B:ASN404 4.0 35.8 1.0 NZ B:LYS23 4.1 49.2 1.0 CA B:ASN404 4.1 37.1 1.0 HD2 B:HIS405 4.2 59.2 1.0 OD2 B:ASP403 4.2 53.1 1.0 HZ1 B:LYS23 4.2 59.0 1.0 CB B:ASP421 4.2 39.4 1.0 N B:HIS405 4.3 30.0 1.0 HZ3 B:LYS23 4.3 59.0 1.0 OE1 B:GLN420 4.3 40.9 1.0 C B:ASP403 4.4 33.2 1.0 H B:SER406 4.4 50.3 1.0 O B:SER406 4.4 40.7 1.0 CA B:HIS405 4.4 37.4 1.0 CA B:ASP403 4.5 36.5 1.0 H B:ASP421 4.6 40.5 1.0 HB2 B:ASP421 4.6 47.3 1.0 CB B:ASN404 4.6 29.8 1.0 CB B:ASP403 4.6 40.4 1.0 HB3 B:ASP421 4.6 47.3 1.0 N B:SER406 4.8 41.9 1.0 HD2 B:LYS23 4.9 50.3 1.0 HE22 B:GLN420 4.9 45.4 1.0 HA B:ASN404 5.0 44.5 1.0

Magnesium binding site 4 out of 6 in the Chitoporin From Escherichia Coli Complex with Chitohexaose


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 Complex with Chitohexaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg514 b:34.7 occ:1.00 HE1 B:TRP170 2.5 27.0 1.0 NE2 B:HIS171 2.6 23.4 1.0 O B:HOH689 2.7 25.9 1.0 HE2 B:TYR300 2.9 42.5 1.0 OE2 B:GLU90 2.9 24.2 1.0 HB3 B:ALA301 3.1 28.3 1.0 HG2 B:GLU90 3.1 39.5 1.0 HB2 B:ALA301 3.1 28.3 1.0 HD2 B:TYR300 3.2 37.7 1.0 NE1 B:TRP170 3.3 22.5 1.0 HB2 B:GLU90 3.3 33.0 1.0 HE1 B:HIS171 3.3 29.6 1.0 HG3 B:PRO76 3.3 31.6 1.0 CE1 B:HIS171 3.3 24.6 1.0 CE2 B:TYR300 3.4 35.4 1.0 CB B:ALA301 3.4 23.6 1.0 CD2 B:TYR300 3.6 31.4 1.0 HD1 B:TRP170 3.6 26.2 1.0 CG B:GLU90 3.6 32.9 1.0 HB1 B:ALA301 3.7 28.3 1.0 HA B:ALA87 3.7 24.9 1.0 CD B:GLU90 3.7 26.9 1.0 CD2 B:HIS171 3.7 21.5 1.0 CD1 B:TRP170 3.8 21.9 1.0 CB B:GLU90 3.9 27.5 1.0 HD2 B:HIS171 4.0 25.8 1.0 CG B:PRO76 4.1 26.3 1.0 HG2 B:PRO76 4.1 31.6 1.0 HB3 B:GLU90 4.3 33.0 1.0 CZ B:TYR300 4.4 30.1 1.0 CE2 B:TRP170 4.5 22.4 1.0 O B:TYR300 4.5 18.5 1.0 HB1 B:ALA87 4.5 29.3 1.0 HG B:SER82 4.5 27.1 1.0 HB2 B:SER82 4.5 24.8 1.0 ND1 B:HIS171 4.5 26.7 1.0 HG3 B:GLU90 4.5 39.5 1.0 CA B:ALA87 4.6 20.8 1.0 HZ3 B:TRP92 4.7 39.1 1.0 HD3 B:PRO76 4.7 35.4 1.0 HZ2 B:TRP170 4.7 24.9 1.0 O B:ALA87 4.7 22.2 1.0 CG B:HIS171 4.7 16.7 1.0 CG B:TYR300 4.8 25.4 1.0 HB2 B:ALA87 4.8 29.3 1.0 CD B:PRO76 4.9 29.5 1.0 OH B:TYR300 4.9 35.6 1.0 OE1 B:GLU90 4.9 28.5 1.0 CB B:ALA87 4.9 24.4 1.0 CA B:ALA301 4.9 20.7 1.0 HD2 B:PRO76 5.0 35.4 1.0 HB3 B:SER82 5.0 24.8 1.0 CZ3 B:TRP92 5.0 32.6 1.0

Magnesium binding site 5 out of 6 in the Chitoporin From Escherichia Coli Complex with Chitohexaose


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 Complex with Chitohexaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg515 b:46.7 occ:1.00 HO6 U:NAG4 2.0 75.3 1.0 HH B:TYR300 2.6 42.7 1.0 O6 U:NAG4 2.8 62.8 1.0 HD2 B:PRO76 2.8 35.4 1.0 OH B:TYR300 2.8 35.6 1.0 O B:PRO76 2.9 28.6 1.0 HN2 U:NAG3 3.1 59.9 1.0 HG2 B:PRO76 3.2 31.6 1.0 HO3 U:NAG3 3.4 64.2 1.0 CZ B:TYR300 3.5 30.1 1.0 O B:HOH660 3.5 37.0 1.0 HG3 B:GLU78 3.6 38.7 1.0 CD B:PRO76 3.6 29.5 1.0 OE2 B:GLU78 3.7 37.3 1.0 H62 U:NAG4 3.7 73.0 1.0 HE2 B:TYR300 3.8 42.5 1.0 H3 U:NAG3 3.8 57.2 1.0 C6 U:NAG4 3.9 60.8 1.0 CG B:PRO76 3.9 26.3 1.0 HZ3 B:TRP92 3.9 39.1 1.0 CE2 B:TYR300 3.9 35.4 1.0 N2 U:NAG3 3.9 49.9 1.0 C B:PRO76 3.9 28.4 1.0 N B:PRO76 4.0 25.8 1.0 O3 U:NAG3 4.0 53.5 1.0 CG B:GLU78 4.2 32.3 1.0 HG2 B:GLU78 4.3 38.7 1.0 O7 U:NAG3 4.3 60.3 1.0 CE1 B:TYR300 4.3 32.3 1.0 C3 U:NAG3 4.3 47.6 1.0 CD B:GLU78 4.4 34.0 1.0 HD3 B:PRO76 4.4 35.4 1.0 CA B:PRO76 4.4 28.3 1.0 HE1 B:TYR300 4.5 38.7 1.0 O5 U:NAG4 4.5 55.5 1.0 H61 U:NAG4 4.5 73.0 1.0 C B:HIS75 4.5 29.8 1.0 C7 U:NAG3 4.5 62.0 1.0 HG3 B:PRO76 4.6 31.6 1.0 O B:HIS75 4.6 26.3 1.0 HE3 B:TRP92 4.7 32.9 1.0 CZ3 B:TRP92 4.7 32.6 1.0 CB B:PRO76 4.7 29.9 1.0 C2 U:NAG3 4.8 47.0 1.0 HA B:ASN77 4.8 36.5 1.0 C5 U:NAG4 4.9 59.2 1.0 HB2 B:PRO76 4.9 35.8 1.0 CD2 B:TYR300 5.0 31.4 1.0

Magnesium binding site 6 out of 6 in the Chitoporin From Escherichia Coli Complex with Chitohexaose


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 Complex with Chitohexaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg516 b:44.3 occ:1.00 HB2 B:ASN335 2.9 45.3 1.0 OH B:TYR331 2.9 45.4 1.0 HD22 B:ASN335 3.0 52.6 1.0 O B:HOH698 3.1 34.1 1.0 HE1 B:TYR331 3.2 48.3 1.0 HG21 B:VAL273 3.2 60.4 1.0 HH B:TYR331 3.5 54.5 1.0 HG11 B:VAL273 3.8 45.1 1.0 CB B:ASN335 3.8 37.8 1.0 CZ B:TYR331 3.8 39.0 1.0 CE1 B:TYR331 3.8 40.2 1.0 HE1 B:TRP336 3.8 61.8 1.0 ND2 B:ASN335 3.8 43.9 1.0 HB3 B:ASN335 3.9 45.3 1.0 CG2 B:VAL273 4.1 50.3 1.0 NE1 B:TRP336 4.3 51.5 1.0 CG B:ASN335 4.3 34.7 1.0 HG22 B:VAL273 4.4 60.4 1.0 HD1 B:TRP336 4.4 56.5 1.0 HG13 B:VAL273 4.4 45.1 1.0 CG1 B:VAL273 4.4 37.6 1.0 HD21 B:ASN335 4.5 52.6 1.0 H B:ASN335 4.5 48.2 1.0 CD1 B:TRP336 4.6 47.1 1.0 HG23 B:VAL273 4.8 60.4 1.0 CB B:VAL273 4.8 43.1 1.0 HB B:VAL273 4.8 51.8 1.0 CA B:ASN335 4.9 38.3 1.0

H.S.M.Soysa, W.Suginta. Chitporin From Escherichia Coli Complex with Chitohexaose To Be Published.