Magnesium in PDB 3fv9: Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium

The structure of Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium, PDB code: 3fv9 was solved by V.N.Malashkevich, M.Rutter, K.T.Bain, C.Lau, S.Ozyurt, D.Smith, S.Wasserman, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Researchcenter For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	169.082, 174.566, 108.560, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.1

The binding sites of Magnesium atom in the Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium (pdb code 3fv9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium, PDB code: 3fv9:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium


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 Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:23.6 occ:1.00 OE2 A:GLU224 2.0 21.1 1.0 OD2 A:ASP247 2.0 18.9 1.0 O G:HOH2828 2.1 24.0 1.0 O G:HOH2827 2.1 25.4 1.0 O G:HOH2086 2.2 18.0 1.0 OD2 A:ASP198 2.3 16.6 1.0 CD A:GLU224 2.9 17.6 1.0 CG A:ASP247 3.1 15.4 1.0 CG A:ASP198 3.3 17.1 1.0 OD1 A:ASP198 3.5 14.9 1.0 OE1 A:GLU224 3.5 21.8 1.0 CB A:ASP247 3.6 17.2 1.0 NZ A:LYS271 3.7 15.6 1.0 O G:HOH2829 3.8 25.9 1.0 CG A:GLU224 3.9 20.9 1.0 O G:HOH2830 4.0 22.7 1.0 OD1 A:ASP247 4.1 19.5 1.0 ND2 A:ASN200 4.2 21.2 1.0 OE1 A:GLU248 4.3 18.6 1.0 OH A:TYR57 4.4 20.7 1.0 O G:HOH955 4.4 44.6 1.0 CE A:LYS271 4.5 18.8 1.0 NZ A:LYS165 4.5 26.7 1.0 CB A:ASP198 4.6 14.8 1.0 CE1 A:TYR57 4.9 20.0 1.0

Magnesium binding site 2 out of 5 in the Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium


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 Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg501 b:35.1 occ:1.00 O G:HOH2838 2.0 36.4 1.0 OD2 E:ASP247 2.1 18.9 1.0 O G:HOH2840 2.2 29.7 1.0 O G:HOH2092 2.3 18.5 1.0 OE2 E:GLU224 2.3 27.8 1.0 OD2 E:ASP198 2.4 16.8 1.0 CD E:GLU224 3.0 16.9 1.0 CG E:ASP247 3.2 25.5 1.0 CG E:ASP198 3.3 14.8 1.0 OE1 E:GLU224 3.5 27.8 1.0 OD1 E:ASP198 3.6 16.9 1.0 CB E:ASP247 3.7 17.3 1.0 NZ E:LYS271 3.8 18.5 1.0 O G:HOH2839 3.8 41.1 1.0 ND2 E:ASN200 3.9 20.6 1.0 O G:HOH1265 4.0 26.6 1.0 CG E:GLU224 4.0 27.3 1.0 OD1 E:ASP247 4.2 19.1 1.0 OE1 E:GLU248 4.4 19.3 1.0 O G:HOH1814 4.5 49.1 1.0 OH E:TYR57 4.5 21.7 1.0 CB E:ASP198 4.5 16.1 1.0 NZ E:LYS165 4.5 24.6 1.0 CE E:LYS271 4.5 14.0 1.0 O G:HOH2289 4.6 43.3 1.0 CG E:ASN200 4.9 20.7 1.0 CE1 E:TYR57 5.0 21.2 1.0

Magnesium binding site 3 out of 5 in the Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium


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 Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg501 b:41.4 occ:1.00 O G:HOH2312 2.0 20.9 1.0 OE2 F:GLU224 2.0 27.3 1.0 O G:HOH1431 2.1 35.8 1.0 OD2 F:ASP247 2.2 19.2 1.0 O G:HOH2841 2.2 28.1 1.0 OD2 F:ASP198 2.2 19.1 1.0 CD F:GLU224 2.9 14.5 1.0 CG F:ASP198 3.1 19.2 1.0 CG F:ASP247 3.2 18.9 1.0 OD1 F:ASP198 3.3 18.9 1.0 OE1 F:GLU224 3.6 27.5 1.0 CB F:ASP247 3.7 17.2 1.0 CG F:GLU224 3.8 27.1 1.0 NZ F:LYS271 3.8 16.1 1.0 O G:HOH2842 4.0 25.9 1.0 ND2 F:ASN200 4.0 18.2 1.0 O G:HOH2843 4.2 16.9 1.0 OD1 F:ASP247 4.2 18.5 1.0 OE1 F:GLU248 4.3 16.7 1.0 CB F:ASP198 4.4 17.5 1.0 OH F:TYR57 4.5 18.8 1.0 CE F:LYS271 4.5 17.1 1.0 O G:HOH2846 4.5 40.4 1.0 NZ F:LYS165 4.6 32.5 1.0 CG F:ASN200 4.8 31.3 1.0 CB F:ALA225 4.9 12.0 1.0 CE1 F:TYR57 5.0 17.7 1.0 CD F:GLU248 5.0 16.9 1.0

Magnesium binding site 4 out of 5 in the Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium


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 Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:24.2 occ:1.00 O G:HOH407 2.0 16.7 1.0 OE2 B:GLU224 2.0 21.3 1.0 O G:HOH2849 2.1 24.1 1.0 OD2 B:ASP198 2.2 15.7 1.0 O G:HOH2847 2.2 19.2 1.0 OD2 B:ASP247 2.2 17.5 1.0 CD B:GLU224 2.9 16.6 1.0 CG B:ASP198 3.1 21.9 1.0 CG B:ASP247 3.3 22.5 1.0 OD1 B:ASP198 3.4 15.1 1.0 OE1 B:GLU224 3.7 21.8 1.0 CB B:ASP247 3.7 15.7 1.0 CG B:GLU224 3.8 20.7 1.0 O G:HOH2848 4.0 24.2 1.0 ND2 B:ASN200 4.0 20.8 1.0 NZ B:LYS271 4.0 16.2 1.0 O G:HOH1187 4.2 23.0 1.0 OE1 B:GLU248 4.3 21.6 1.0 OD1 B:ASP247 4.4 17.2 1.0 CB B:ASP198 4.4 14.1 1.0 OH B:TYR57 4.5 19.1 1.0 CE B:LYS271 4.6 17.3 1.0 CG B:ASN200 4.8 29.6 1.0 CE1 B:TYR57 4.8 18.7 1.0 CB B:ALA225 5.0 12.1 1.0

Magnesium binding site 5 out of 5 in the Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg501 b:37.3 occ:1.00 O G:HOH2859 2.1 33.5 1.0 O G:HOH2858 2.1 25.2 1.0 OD2 C:ASP247 2.2 20.3 1.0 O G:HOH2857 2.2 19.9 1.0 OE2 C:GLU224 2.3 26.6 1.0 OD2 C:ASP198 2.4 20.0 1.0 CD C:GLU224 3.2 15.8 1.0 CG C:ASP247 3.2 25.0 1.0 CG C:ASP198 3.3 14.9 1.0 OD1 C:ASP198 3.6 18.7 1.0 NZ C:LYS271 3.6 17.2 1.0 OE1 C:GLU224 3.8 26.6 1.0 CB C:ASP247 3.8 18.1 1.0 O G:HOH1731 3.9 25.2 1.0 ND2 C:ASN200 4.0 19.9 1.0 CG C:GLU224 4.1 26.1 1.0 OD1 C:ASP247 4.2 19.8 1.0 NZ C:LYS165 4.2 26.9 1.0 O G:HOH2860 4.3 17.5 1.0 OH C:TYR57 4.3 22.3 1.0 CE C:LYS271 4.3 14.1 1.0 O G:HOH2863 4.4 36.5 1.0 OE1 C:GLU248 4.4 19.9 1.0 CB C:ASP198 4.6 18.0 1.0 CE1 C:TYR57 4.8 21.8 1.0 CG C:ASN200 4.8 22.0 1.0

V.N.Malashkevich, M.Rutter, K.T.Bain, C.Lau, S.Ozyurt, D.Smith, S.Wasserman, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Putative Mandelate Racemase/Muconatelactonizing Enzyme From Roseovarius Nubinhibens Ism Complexed with Magnesium To Be Published.