Magnesium in PDB 3ozy: Crystal Structure of Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate

The structure of Crystal Structure of Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate, PDB code: 3ozy was solved by A.A.Fedorov, E.V.Fedorov, D.Wichelecki, J.A.Gerlt, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.25 / 1.30
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	116.769, 116.769, 128.417, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 17.2

The binding sites of Magnesium atom in the Crystal Structure of Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate (pdb code 3ozy). 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 Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate, PDB code: 3ozy:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate


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 Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg390 b:7.9 occ:1.00 OE2 A:GLU254 2.2 11.4 1.0 O A:HOH972 2.2 9.1 1.0 OE2 A:GLU227 2.2 7.2 1.0 OD2 A:ASP201 2.3 7.7 1.0 O A:HOH1031 2.4 9.8 1.0 O A:HOH1032 2.4 12.1 1.0 CD A:GLU254 3.1 11.6 1.0 CD A:GLU227 3.2 6.2 1.0 CG A:ASP201 3.3 7.0 1.0 OE1 A:GLU254 3.4 15.9 1.0 OD1 A:ASP201 3.6 6.9 1.0 NZ A:LYS171 3.8 6.6 1.0 NZ A:LYS173 3.8 11.0 1.0 CG A:GLU227 3.9 6.2 1.0 O A:HOH423 4.0 8.3 1.0 O A:HOH1035 4.1 18.0 1.0 OE1 A:GLU227 4.1 6.4 1.0 O A:HOH440 4.1 8.1 1.0 CD2 A:HIS304 4.3 6.5 1.0 CG A:GLU254 4.4 10.5 1.0 ND2 A:ASN203 4.6 10.3 1.0 CB A:ASP201 4.6 6.8 1.0 CE A:LYS171 4.6 5.2 1.0 OE1 A:GLU228 4.7 7.9 1.0 O A:HOH1033 4.9 16.1 1.0 CD A:GLU228 5.0 6.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate


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 Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg391 b:19.0 occ:1.00 ND1 A:HIS86 2.1 15.1 1.0 NE2 A:HIS90 2.3 16.8 1.0 O B:HOH978 2.4 32.4 1.0 O A:HOH1024 2.7 38.5 1.0 CE1 A:HIS86 2.9 14.2 1.0 CD2 A:HIS90 3.0 13.4 1.0 CG A:HIS86 3.3 11.2 1.0 O B:HOH693 3.4 35.8 1.0 CE1 A:HIS90 3.4 16.9 1.0 CB A:HIS86 3.8 11.5 1.0 NE2 A:HIS86 4.0 15.1 1.0 CG A:HIS90 4.2 10.7 1.0 CD2 A:HIS86 4.3 11.7 1.0 ND1 A:HIS90 4.4 13.5 1.0 CA A:HIS86 4.6 9.2 1.0 CA B:MET387 4.7 33.5 1.0 O B:GLY386 4.7 27.4 1.0 O B:MET387 4.8 42.6 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate


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 Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg390 b:8.1 occ:1.00 OE2 B:GLU254 2.2 9.7 1.0 OE2 B:GLU227 2.2 7.5 1.0 O B:HOH971 2.2 9.6 1.0 OAK B:DXL392 2.2 9.6 1.0 OD2 B:ASP201 2.3 8.3 1.0 OAC B:DXL392 2.3 11.5 1.0 CAJ B:DXL392 3.0 16.1 1.0 CD B:GLU254 3.1 8.6 1.0 CAI B:DXL392 3.1 18.8 1.0 CD B:GLU227 3.1 6.3 1.0 CG B:ASP201 3.2 7.4 1.0 OE1 B:GLU254 3.3 13.4 1.0 OD1 B:ASP201 3.6 7.4 1.0 NZ B:LYS173 3.8 12.5 1.0 CG B:GLU227 3.8 6.3 1.0 NZ B:LYS171 3.9 7.0 1.0 O B:HOH401 4.0 7.8 1.0 OE1 B:GLU227 4.0 6.5 1.0 O B:HOH422 4.1 7.4 1.0 OAD B:DXL392 4.2 20.1 1.0 CD2 B:HIS304 4.4 6.7 1.0 CG B:GLU254 4.4 9.6 1.0 CAH B:DXL392 4.4 20.9 1.0 ND2 B:ASN203 4.4 10.6 1.0 CB B:ASP201 4.6 7.2 1.0 OE1 B:GLU228 4.6 8.2 1.0 CE B:LYS171 4.6 6.2 1.0 OAL B:DXL392 4.7 19.6 1.0 CD B:GLU228 5.0 7.2 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate


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 Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg391 b:19.7 occ:1.00 ND1 B:HIS86 2.1 16.1 1.0 NE2 B:HIS90 2.2 14.2 1.0 O A:HOH976 2.4 30.4 1.0 O B:HOH734 2.5 32.8 1.0 CE1 B:HIS86 2.8 12.2 1.0 CD2 B:HIS90 3.0 11.2 1.0 CG B:HIS86 3.2 11.7 1.0 CE1 B:HIS90 3.4 13.2 1.0 O B:HOH989 3.6 39.0 1.0 CB B:HIS86 3.7 9.7 1.0 NE2 B:HIS86 4.0 14.8 1.0 CD2 B:HIS86 4.2 10.8 1.0 CG B:HIS90 4.2 9.3 1.0 ND1 B:HIS90 4.4 11.8 1.0 O A:GLY386 4.5 24.2 1.0 CA B:HIS86 4.6 7.3 1.0 CA A:MET387 4.6 28.4 1.0 O B:HOH906 4.7 31.9 1.0 O B:HOH765 4.9 31.2 1.0 O A:MET387 5.0 40.2 1.0

A.A.Fedorov, E.V.Fedorov, D.Wichelecki, J.A.Gerlt, S.C.Almo. Crystal Structure of Enolase Superfamily Member From Bordetella Bronchiseptica Complexed with Mg and M-Xylarate To Be Published.