Magnesium in PDB 3my9: Crystal Structure of A Muconate Cycloisomerase From Azorhizobium Caulinodans

The structure of Crystal Structure of A Muconate Cycloisomerase From Azorhizobium Caulinodans, PDB code: 3my9 was solved by C.E.Quartararo, U.Ramagopal, J.B.Bonanno, M.Rutter, K.T.Bain, S.Miller, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Centerfor Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	127.993, 127.993, 98.036, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 25.4

The binding sites of Magnesium atom in the Crystal Structure of A Muconate Cycloisomerase From Azorhizobium Caulinodans (pdb code 3my9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Muconate Cycloisomerase From Azorhizobium Caulinodans, PDB code: 3my9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Muconate Cycloisomerase From Azorhizobium Caulinodans


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 Muconate Cycloisomerase From Azorhizobium Caulinodans within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg377 b:40.4 occ:1.00 O A:HOH381 2.0 25.2 1.0 O A:ALA237 2.0 31.5 1.0 O A:LEU240 2.1 33.6 1.0 O A:HOH380 2.1 21.5 1.0 O A:HOH383 2.1 22.4 1.0 O A:HOH382 2.2 21.9 1.0 C A:ALA237 3.1 32.7 1.0 C A:LEU240 3.3 33.9 1.0 CA A:ALA237 3.7 32.5 1.0 OD2 A:ASP266 4.1 30.8 1.0 N A:LEU240 4.2 34.1 1.0 O A:HOH384 4.2 34.6 1.0 CA A:LEU240 4.2 33.6 1.0 N A:ASP241 4.2 34.2 1.0 O A:HOH400 4.2 27.1 1.0 N A:ALA238 4.2 33.8 1.0 O A:THR242 4.3 32.0 1.0 CB A:ALA237 4.3 32.2 1.0 OD1 A:ASP266 4.3 31.9 1.0 O A:ASP241 4.3 33.9 1.0 CA A:ASP241 4.4 34.9 1.0 C A:ASP241 4.4 34.1 1.0 CG A:ASP266 4.6 33.0 1.0 CA A:ALA238 4.6 35.6 1.0 C A:ALA238 4.6 35.0 1.0 O A:PHE236 4.7 31.7 1.0 O A:ALA238 4.8 36.2 1.0 CB A:LEU240 4.9 34.0 1.0 N A:ALA237 5.0 32.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Muconate Cycloisomerase From Azorhizobium Caulinodans


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 Muconate Cycloisomerase From Azorhizobium Caulinodans within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg378 b:50.2 occ:1.00 OD2 A:ASP247 2.0 40.4 1.0 O A:HOH388 2.0 25.6 1.0 O A:HOH389 2.1 24.7 1.0 O A:HOH386 2.1 26.4 1.0 OE2 A:GLU222 2.2 45.3 1.0 O A:HOH387 2.3 28.2 1.0 CG A:ASP247 3.1 40.4 1.0 CD A:GLU222 3.2 43.0 1.0 CB A:ASP247 3.6 38.1 1.0 O A:HOH407 3.8 34.6 1.0 CG A:GLU222 4.0 36.7 1.0 OE2 A:GLU248 4.0 45.7 1.0 OE1 A:GLU248 4.0 39.8 1.0 OE1 A:GLU222 4.1 47.1 1.0 OD1 A:ASP196 4.2 44.5 1.0 OD1 A:ASP247 4.2 41.9 1.0 CD A:GLU248 4.4 44.0 1.0 OD1 A:ASN198 4.5 58.9 1.0 OD2 A:ASP196 4.6 44.5 1.0 CG A:ASP196 4.8 42.0 1.0

C.E.Quartararo, U.Ramagopal, J.B.Bonanno, M.Rutter, K.T.Bain, S.Miller, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of A Muconate Cycloisomerase From Azorhizobium Caulinodans To Be Published.