Magnesium in PDB 3no1: Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium

The structure of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium, PDB code: 3no1 was solved by L.Satyanarayana, S.K.Burley, S.Swaminathan, 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)	42.51 / 2.16
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	84.961, 90.103, 94.660, 115.80, 109.75, 97.58
R / Rfree (%)	20.7 / 24

The binding sites of Magnesium atom in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium (pdb code 3no1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium, PDB code: 3no1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex 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 Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg397 b:19.4 occ:1.00 OE2 A:GLU241 1.8 16.3 1.0 O A:HOH496 2.0 12.2 1.0 OD2 A:ASP215 2.1 15.4 1.0 NE2 A:GLN268 2.2 16.4 1.0 O A:HOH401 2.2 18.6 1.0 O A:HOH497 2.2 29.7 1.0 CD A:GLU241 3.0 16.2 1.0 CG A:ASP215 3.1 13.7 1.0 CD A:GLN268 3.2 21.2 1.0 OD1 A:ASP215 3.3 13.3 1.0 OE1 A:GLN268 3.6 23.7 1.0 CG A:GLU241 3.7 13.6 1.0 NZ A:LYS184 3.8 14.8 1.0 OD1 A:ASN217 4.0 25.2 1.0 OE1 A:GLU241 4.0 18.5 1.0 OE2 A:GLU242 4.1 20.9 1.0 CG A:GLN268 4.4 17.5 1.0 ND2 A:ASN289 4.4 9.7 1.0 CB A:ASP215 4.4 11.3 1.0 CD2 A:HIS318 4.6 25.2 1.0 CD A:LYS184 4.6 16.1 1.0 CB A:GLU241 4.6 12.5 1.0 NZ A:LYS186 4.7 27.9 1.0 CG A:ASN217 4.7 21.2 1.0 CE A:LYS184 4.8 14.9 1.0 O A:HOH483 5.0 27.0 1.0 CD A:GLU242 5.0 19.4 1.0

Magnesium binding site 2 out of 6 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex 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 Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg397 b:25.9 occ:1.00 OD2 B:ASP215 1.9 24.5 1.0 O B:HOH451 2.0 30.3 1.0 O B:HOH452 2.1 13.7 1.0 O B:HOH433 2.1 28.0 1.0 NE2 B:GLN268 2.1 16.9 1.0 OE2 B:GLU241 2.2 15.9 1.0 CG B:ASP215 3.0 23.3 1.0 CD B:GLN268 3.3 20.1 1.0 CD B:GLU241 3.3 17.8 1.0 OD1 B:ASP215 3.5 22.9 1.0 OE1 B:GLN268 3.6 23.7 1.0 OD1 B:ASN217 3.8 31.0 1.0 CD2 B:HIS318 4.0 28.0 1.0 CG B:GLU241 4.1 16.3 1.0 NZ B:LYS184 4.2 30.5 1.0 OE1 B:GLU241 4.3 17.7 1.0 CB B:ASP215 4.3 20.0 1.0 NE2 B:HIS318 4.4 30.6 1.0 O B:HOH454 4.4 32.1 1.0 NZ B:LYS186 4.5 32.9 1.0 CD B:LYS184 4.5 26.1 1.0 CG B:GLN268 4.5 18.8 1.0 ND2 B:ASN289 4.5 14.5 1.0 CG B:ASN217 4.5 28.7 1.0 CG B:GLU242 4.7 21.8 1.0 ND2 B:ASN217 4.7 29.5 1.0 CB B:GLU241 5.0 14.0 1.0 CE B:LYS184 5.0 26.6 1.0

Magnesium binding site 3 out of 6 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex 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 Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg397 b:16.4 occ:1.00 OE2 C:GLU241 1.9 15.2 1.0 O C:HOH496 1.9 14.1 1.0 NE2 C:GLN268 2.0 15.6 1.0 OD2 C:ASP215 2.1 15.6 1.0 O C:HOH447 2.3 25.4 1.0 O C:HOH494 2.3 22.4 1.0 CD C:GLU241 3.0 15.0 1.0 CG C:ASP215 3.1 14.1 1.0 CD C:GLN268 3.1 18.8 1.0 OD1 C:ASP215 3.4 12.2 1.0 OE1 C:GLN268 3.5 23.2 1.0 CG C:GLU241 3.7 12.4 1.0 OE1 C:GLU241 4.1 14.7 1.0 OD1 C:ASN217 4.1 20.9 1.0 NZ C:LYS184 4.1 23.8 1.0 ND2 C:ASN289 4.2 10.1 1.0 CG C:GLN268 4.3 16.6 1.0 O C:HOH445 4.3 29.6 1.0 OE2 C:GLU242 4.3 24.2 1.0 CB C:ASP215 4.4 12.4 1.0 CD2 C:HIS318 4.5 24.6 1.0 CB C:GLU241 4.6 12.1 1.0 CD C:LYS184 4.6 18.6 1.0 NZ C:LYS186 4.7 32.2 1.0 CE C:LYS184 4.9 17.6 1.0 O C:HOH422 5.0 21.4 1.0

Magnesium binding site 4 out of 6 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex 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 Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg397 b:24.3 occ:1.00 O D:HOH455 2.0 25.8 1.0 OE2 D:GLU241 2.0 15.5 1.0 O D:HOH465 2.0 21.5 1.0 OD2 D:ASP215 2.1 21.2 1.0 NE2 D:GLN268 2.1 15.4 1.0 O D:HOH466 2.2 32.2 1.0 CD D:GLN268 3.1 18.0 1.0 CG D:ASP215 3.1 20.5 1.0 CD D:GLU241 3.1 17.0 1.0 OE1 D:GLN268 3.4 18.1 1.0 OD1 D:ASP215 3.5 20.8 1.0 OD1 D:ASN217 3.7 25.4 1.0 NZ D:LYS184 3.8 27.5 1.0 CG D:GLU241 3.8 14.7 1.0 CD2 D:HIS318 3.9 28.0 1.0 OE1 D:GLU241 4.1 19.2 1.0 ND2 D:ASN289 4.3 13.1 1.0 CG D:GLN268 4.4 16.6 1.0 CB D:ASP215 4.4 16.8 1.0 NZ D:LYS186 4.5 33.8 1.0 CG D:ASN217 4.5 24.5 1.0 CD D:LYS184 4.6 24.2 1.0 NE2 D:HIS318 4.6 28.9 1.0 CB D:GLU241 4.7 11.3 1.0 CE D:LYS184 4.7 24.1 1.0 ND2 D:ASN217 4.9 23.6 1.0 CG D:GLU242 4.9 20.8 1.0 O D:HOH441 5.0 24.5 1.0

Magnesium binding site 5 out of 6 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex 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 Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg397 b:29.9 occ:1.00 O E:HOH450 1.9 29.9 1.0 O E:HOH402 2.0 19.8 1.0 NE2 E:GLN268 2.1 15.1 1.0 OE2 E:GLU241 2.1 21.8 1.0 O E:HOH451 2.1 28.1 1.0 OD2 E:ASP215 2.2 23.0 1.0 CD E:GLN268 3.1 16.6 1.0 CD E:GLU241 3.3 21.8 1.0 CG E:ASP215 3.3 19.9 1.0 OE1 E:GLN268 3.4 20.8 1.0 OD1 E:ASN217 3.8 29.1 1.0 OD1 E:ASP215 3.8 22.5 1.0 CD2 E:HIS318 3.9 24.3 1.0 CG E:GLU241 4.0 18.9 1.0 NZ E:LYS184 4.1 30.1 1.0 OE1 E:GLU241 4.2 22.4 1.0 NZ E:LYS186 4.2 32.1 1.0 NE2 E:HIS318 4.3 28.3 1.0 ND2 E:ASN289 4.3 17.6 1.0 CG E:GLN268 4.4 16.2 1.0 CB E:ASP215 4.5 19.5 1.0 CD E:LYS184 4.6 25.4 1.0 CG E:GLU242 4.7 23.7 1.0 CG E:ASN217 4.8 26.4 1.0 CG E:HIS318 4.8 23.4 1.0 CB E:GLU241 4.9 17.6 1.0 CE E:LYS184 4.9 26.9 1.0

Magnesium binding site 6 out of 6 in the Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg397 b:26.4 occ:1.00 OE1 F:GLU241 2.0 19.2 1.0 O F:HOH415 2.0 22.6 1.0 O F:HOH468 2.1 17.7 1.0 OD1 F:ASP215 2.1 19.5 1.0 NE2 F:GLN268 2.2 12.7 1.0 O F:HOH467 2.3 20.6 1.0 CD F:GLU241 3.0 17.9 1.0 CG F:ASP215 3.1 18.3 1.0 CD F:GLN268 3.2 18.9 1.0 OE1 F:GLN268 3.4 23.8 1.0 OD2 F:ASP215 3.5 20.3 1.0 CG F:GLU241 3.5 15.8 1.0 OD1 F:ASN217 3.9 24.2 1.0 NZ F:LYS184 4.0 24.3 1.0 OE2 F:GLU241 4.1 21.0 1.0 OE2 F:GLU242 4.1 23.3 1.0 CD2 F:HIS318 4.2 25.2 1.0 ND2 F:ASN289 4.2 15.0 1.0 CB F:ASP215 4.4 16.8 1.0 CD F:LYS184 4.6 21.1 1.0 CG F:GLN268 4.6 18.5 1.0 CB F:GLU241 4.6 15.0 1.0 NE2 F:HIS318 4.8 27.2 1.0 CE F:LYS184 4.9 21.1 1.0 CG F:ASN217 4.9 22.9 1.0 O F:HOH543 4.9 31.4 1.0 CB F:GLN268 4.9 14.2 1.0 CD F:GLU242 5.0 20.8 1.0

L.Satyanarayana, S.K.Burley, S.Swaminathan. Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme From A Marine Actinobacterium in Complex with Magnesium To Be Published.