Magnesium in PDB 4qdg: Crystal Structure of A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama)

The structure of Crystal Structure of A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama), PDB code: 4qdg was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.35 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.803, 102.324, 74.466, 90.00, 98.35, 90.00
R / Rfree (%)	16.7 / 21.5

The binding sites of Magnesium atom in the Crystal Structure of A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama) (pdb code 4qdg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama), PDB code: 4qdg:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama)


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 A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:35.4 occ:1.00 SG A:CYS114 2.1 67.9 1.0 NE2 A:HIS152 2.2 49.1 1.0 OD1 A:ASP64 2.2 55.4 1.0 OD2 A:ASP64 2.6 58.7 1.0 SG A:CYS65 2.6 48.9 1.0 CG A:ASP64 2.7 53.1 1.0 CE1 A:HIS152 3.0 48.9 1.0 CD2 A:HIS152 3.3 48.9 1.0 CB A:CYS114 3.3 64.8 1.0 O A:HOH686 3.6 48.1 1.0 CB A:CYS65 3.7 44.8 1.0 CB A:ASP64 4.1 43.8 1.0 N A:CYS65 4.1 42.1 1.0 CA A:GLY111 4.1 34.5 1.0 ND1 A:HIS152 4.2 49.4 1.0 N A:CYS114 4.3 61.8 1.0 CA A:CYS114 4.3 64.1 1.0 CG A:HIS152 4.3 46.2 1.0 O A:HOH669 4.3 54.6 1.0 C A:ASP64 4.4 45.6 1.0 CA A:CYS65 4.5 42.2 1.0 CD A:LYS116 4.7 89.6 1.0 C A:GLY111 4.7 43.4 1.0 CB A:LYS116 4.7 59.8 1.0 CA A:ASP64 4.7 40.7 1.0 N A:GLY111 4.7 33.5 1.0 O A:ASP64 4.9 46.0 1.0 N A:ASP64 5.0 40.0 1.0 C A:CYS114 5.0 67.7 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama)


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 A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:29.3 occ:1.00 O A:HOH507 2.2 19.1 1.0 O A:GLU304 2.2 29.2 1.0 O A:LEU301 2.2 23.4 1.0 OD1 A:ASN179 2.3 24.4 1.0 O A:HOH501 2.9 21.5 1.0 C A:GLU304 3.3 27.8 1.0 CG A:ASN179 3.3 22.0 1.0 C A:LEU301 3.3 25.5 1.0 O A:ASP302 3.4 29.4 1.0 ND2 A:ASN179 3.6 18.5 1.0 CA A:ASP302 3.7 23.6 1.0 C A:ASP302 3.7 28.3 1.0 CA A:SER305 3.8 24.4 1.0 O A:HOH505 3.9 23.7 1.0 N A:SER305 3.9 23.5 1.0 N A:ASP302 4.0 22.9 1.0 NE1 A:TRP307 4.2 23.3 1.0 CB A:SER305 4.3 28.7 1.0 N A:GLU304 4.3 25.1 1.0 O A:THR178 4.4 30.4 1.0 CZ2 A:TRP307 4.4 23.5 1.0 CA A:GLU304 4.4 25.3 1.0 CA A:LEU301 4.5 21.6 1.0 CB A:ASN179 4.6 20.3 1.0 CE2 A:TRP307 4.7 25.0 1.0 N A:ARG303 4.7 26.2 1.0 O A:LYS176 4.7 26.5 1.0 C A:ARG303 4.9 29.3 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama)


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 A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:39.2 occ:1.00 OD1 B:ASP64 2.1 71.5 1.0 SG B:CYS65 2.3 61.7 1.0 SG B:CYS114 2.4 75.9 1.0 NE2 B:HIS152 2.4 60.9 1.0 CG B:ASP64 2.7 70.9 1.0 OD2 B:ASP64 2.8 77.2 1.0 CE1 B:HIS152 3.3 61.0 1.0 CB B:CYS65 3.4 57.9 1.0 CB B:CYS114 3.4 72.5 1.0 CD2 B:HIS152 3.5 60.3 1.0 N B:CYS65 3.8 55.1 1.0 CA B:GLY111 3.9 39.4 1.0 CB B:ASP64 4.1 57.8 1.0 CA B:CYS65 4.2 55.8 1.0 C B:ASP64 4.2 59.5 1.0 N B:CYS114 4.2 68.9 1.0 CA B:CYS114 4.4 71.0 1.0 N B:GLY111 4.4 39.4 1.0 ND1 B:HIS152 4.5 60.9 1.0 C B:GLY111 4.5 43.8 1.0 CG B:HIS152 4.6 57.2 1.0 CA B:ASP64 4.6 55.4 1.0 O B:ASP64 4.7 59.4 1.0 N B:ASP64 4.8 54.0 1.0 O B:CYS65 4.9 53.3 1.0 O B:GLY111 4.9 42.9 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of A Putative Adhesin (BT2657) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.20 A Resolution (Psi Community Target, Nakayama) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:33.4 occ:1.00 O B:LEU301 2.2 30.4 1.0 O B:GLU304 2.3 31.8 1.0 OD1 B:ASN179 2.4 28.4 1.0 O B:HOH501 2.5 24.8 1.0 O B:HOH505 2.6 28.4 1.0 CG B:ASN179 3.3 34.0 1.0 O B:ASP302 3.3 34.4 1.0 C B:GLU304 3.3 33.2 1.0 C B:LEU301 3.4 29.2 1.0 ND2 B:ASN179 3.6 21.4 1.0 C B:ASP302 3.7 33.9 1.0 CA B:ASP302 3.7 26.6 1.0 O B:HOH503 3.8 30.3 1.0 CA B:SER305 3.9 30.6 1.0 N B:ASP302 3.9 26.4 1.0 N B:SER305 4.0 30.9 1.0 NE1 B:TRP307 4.2 27.7 1.0 N B:GLU304 4.3 33.0 1.0 CZ2 B:TRP307 4.4 27.6 1.0 CA B:GLU304 4.4 30.9 1.0 CB B:SER305 4.4 33.5 1.0 CA B:LEU301 4.6 23.7 1.0 O B:THR178 4.6 24.7 1.0 CE2 B:TRP307 4.7 28.6 1.0 N B:ARG303 4.7 30.7 1.0 CB B:ASN179 4.7 25.9 1.0 O B:LYS176 4.7 32.9 1.0 O B:HOH535 4.9 36.4 1.0 C B:ARG303 4.9 37.4 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.