Magnesium in PDB 4e5t: Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11

The structure of Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11, PDB code: 4e5t was solved by P.R.Kumar, J.Bonanno, S.Chowdhury, R.Foti, A.Gizzi, S.Glen, J.Hammonds, B.Hillerich, B.Matikainen, R.Seidel, R.Toro, W.Zencheck, S.C.Almo, Newyork Structural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.45 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.900, 156.880, 218.240, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 24.2

The binding sites of Magnesium atom in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11 (pdb code 4e5t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11, PDB code: 4e5t:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11


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 Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:73.3 occ:1.00 OE1 A:GLU265 2.2 50.8 1.0 OE2 A:GLU239 2.2 79.0 1.0 CD A:GLU265 3.2 49.0 1.0 CD A:GLU239 3.4 65.6 1.0 OE2 A:GLU265 3.6 45.6 1.0 OH A:TYR130 3.7 66.7 1.0 OE1 A:GLU239 3.9 63.0 1.0 NE2 A:HIS215 4.0 41.6 1.0 NZ A:LYS170 4.1 40.7 1.0 CD2 A:HIS315 4.3 41.3 1.0 NE2 A:HIS315 4.4 49.5 1.0 CE1 A:HIS215 4.4 40.4 1.0 CD2 A:HIS215 4.5 34.9 1.0 CG A:GLU265 4.5 49.9 1.0 CE A:LYS170 4.6 40.7 1.0 CG A:GLU239 4.6 41.9 1.0 CZ A:TYR130 4.7 63.3 1.0 O A:THR214 4.8 42.2 1.0 CE2 A:TYR130 4.9 60.9 1.0 OE1 A:GLU240 4.9 49.2 1.0 O A:GLY213 5.0 51.2 1.0

Magnesium binding site 2 out of 8 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11


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 Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:69.0 occ:1.00 OE1 B:GLU265 2.1 75.7 1.0 OE2 B:GLU239 2.2 61.4 1.0 CD B:GLU265 3.1 63.1 1.0 NZ B:LYS170 3.3 73.0 1.0 CD B:GLU239 3.4 53.3 1.0 OE2 B:GLU265 3.4 54.0 1.0 OH B:TYR130 3.7 68.1 1.0 NE2 B:HIS215 3.8 80.3 1.0 CD2 B:HIS215 3.9 73.2 1.0 OE1 B:GLU239 3.9 39.3 1.0 NE2 B:HIS315 4.1 54.1 1.0 CD2 B:HIS315 4.2 51.9 1.0 CG B:GLU265 4.4 60.5 1.0 CG B:GLU239 4.6 43.0 1.0 CE B:LYS170 4.6 63.1 1.0 O B:GLY213 4.7 53.5 1.0 CE1 B:HIS215 4.7 80.0 1.0 O B:THR214 4.8 42.1 1.0 CG B:HIS215 4.8 68.3 1.0 CZ B:TYR130 4.9 67.3 1.0

Magnesium binding site 3 out of 8 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11


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 Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg501 b:67.3 occ:1.00 OE2 C:GLU239 2.1 87.4 1.0 OE1 C:GLU265 2.2 82.2 1.0 CD C:GLU265 3.1 72.5 1.0 OE2 C:GLU265 3.2 75.0 1.0 CD C:GLU239 3.3 69.8 1.0 OH C:TYR130 3.7 85.2 1.0 NE2 C:HIS215 3.9 77.0 1.0 OE1 C:GLU239 4.0 64.3 1.0 NE2 C:HIS315 4.1 88.7 1.0 CD2 C:HIS215 4.2 75.1 1.0 CE1 C:HIS215 4.3 74.4 1.0 NZ C:LYS170 4.4 67.6 1.0 O C:GLY213 4.4 74.9 1.0 CG C:GLU239 4.4 53.4 1.0 CD2 C:HIS315 4.4 80.0 1.0 CG C:GLU265 4.5 47.3 1.0 O C:THR214 4.6 64.4 1.0 CG C:HIS215 4.8 73.8 1.0 ND1 C:HIS215 4.9 71.2 1.0 CE C:LYS170 4.9 59.6 1.0 CZ C:TYR130 4.9 77.7 1.0 OE1 C:GLU240 4.9 70.2 1.0

Magnesium binding site 4 out of 8 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11


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 Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:68.5 occ:1.00 OE1 D:GLU265 2.0 69.5 1.0 OE2 D:GLU239 2.2 53.1 1.0 CD D:GLU265 3.1 61.7 1.0 NZ D:LYS170 3.2 66.5 1.0 CD D:GLU239 3.3 59.1 1.0 NE2 D:HIS215 3.4 89.6 1.0 CD2 D:HIS215 3.7 87.7 1.0 OE2 D:GLU265 3.7 44.9 1.0 OH D:TYR130 3.8 70.8 1.0 CD2 D:HIS315 3.8 60.7 1.0 OE1 D:GLU239 3.9 52.4 1.0 NE2 D:HIS315 4.0 60.5 1.0 CG D:GLU265 4.3 63.1 1.0 CE D:LYS170 4.5 51.3 1.0 CG D:GLU239 4.6 56.8 1.0 CE1 D:HIS215 4.7 81.5 1.0 CZ D:TYR130 4.7 77.3 1.0 CE2 D:TYR130 4.8 81.9 1.0

Magnesium binding site 5 out of 8 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11


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 A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg501 b:90.1 occ:1.00 OE2 E:GLU239 2.1 85.4 1.0 OE1 E:GLU265 2.3 76.0 1.0 CD E:GLU265 3.1 61.4 1.0 CD E:GLU239 3.2 66.0 1.0 OE2 E:GLU265 3.2 65.4 1.0 NE2 E:HIS215 3.5 70.3 1.0 CD2 E:HIS215 3.7 71.0 1.0 OE1 E:GLU239 3.7 52.6 1.0 NZ E:LYS170 3.8 60.9 1.0 OH E:TYR130 3.8 0.7 1.0 CD2 E:HIS315 4.3 66.0 1.0 NE2 E:HIS315 4.4 69.6 1.0 CG E:GLU239 4.4 47.3 1.0 CE1 E:HIS215 4.4 69.9 1.0 CG E:GLU265 4.6 31.4 1.0 O E:GLY213 4.6 72.4 1.0 O E:THR214 4.6 69.1 1.0 OE1 E:GLU240 4.7 70.2 1.0 CG E:HIS215 4.7 65.6 1.0 CE E:LYS170 4.9 49.5 1.0

Magnesium binding site 6 out of 8 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11


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 A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11 within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg501 b:83.1 occ:1.00 OE1 F:GLU265 2.1 62.0 1.0 OE2 F:GLU239 2.2 77.7 1.0 CD F:GLU265 2.9 60.9 1.0 OE2 F:GLU265 3.0 59.4 1.0 CD F:GLU239 3.4 61.6 1.0 OH F:TYR130 3.8 87.0 1.0 O F:GLY213 3.8 56.9 1.0 NE2 F:HIS215 4.0 67.5 1.0 O F:THR214 4.1 42.4 1.0 CD2 F:HIS215 4.1 63.0 1.0 NE2 F:HIS315 4.2 74.9 1.0 OE1 F:GLU239 4.2 53.5 1.0 CG F:GLU239 4.3 48.3 1.0 NZ F:LYS170 4.3 39.0 1.0 CG F:GLU265 4.4 51.0 1.0 CD2 F:HIS315 4.5 70.7 1.0 CE1 F:HIS215 4.6 66.7 1.0 C F:GLY213 4.6 53.5 1.0 OE1 F:GLU240 4.8 64.2 1.0 CG F:HIS215 4.9 61.7 1.0 CZ F:TYR130 5.0 85.4 1.0

Magnesium binding site 7 out of 8 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11 within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg501 b:93.6 occ:1.00 OE1 G:GLU265 2.4 89.0 1.0 OE2 G:GLU265 2.5 1.0 1.0 OE2 G:GLU239 2.7 81.6 1.0 CD G:GLU265 2.8 0.1 1.0 NE2 G:HIS315 3.6 71.5 1.0 OH G:TYR130 3.6 0.7 1.0 NE2 G:HIS215 3.7 0.9 1.0 CD2 G:HIS215 3.8 0.1 1.0 CD G:GLU239 3.9 73.1 1.0 CD2 G:HIS315 4.0 68.4 1.0 CG G:GLU265 4.3 78.1 1.0 NZ G:LYS170 4.5 69.7 1.0 OE1 G:GLU239 4.6 63.5 1.0 CE1 G:HIS315 4.7 67.6 1.0 CE1 G:HIS215 4.8 0.4 1.0 CZ G:TYR130 4.8 0.9 1.0 O G:THR214 5.0 80.6 1.0

Magnesium binding site 8 out of 8 in the Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of A Putative Mandelate Racemase/Muconate Lactonizing Enzyme (Target Psi-200750) From Labrenzia Alexandrii Dfl- 11 within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg501 b:75.9 occ:1.00 OE2 H:GLU239 2.1 83.2 1.0 OE1 H:GLU265 2.1 95.6 1.0 CD H:GLU265 3.1 87.8 1.0 CD2 H:HIS215 3.2 88.8 1.0 CD H:GLU239 3.2 79.5 1.0 NE2 H:HIS215 3.3 84.6 1.0 OE2 H:GLU265 3.5 85.3 1.0 NZ H:LYS170 3.8 87.3 1.0 O H:THR214 3.9 78.5 1.0 CG H:GLU239 4.0 71.7 1.0 OE1 H:GLU239 4.1 75.7 1.0 NE2 H:HIS315 4.4 84.2 1.0 CG H:HIS215 4.4 84.0 1.0 CE H:LYS170 4.4 81.4 1.0 CE1 H:HIS215 4.5 82.6 1.0 CG H:GLU265 4.5 73.3 1.0 O H:GLY213 4.7 81.0 1.0 OE1 H:GLU240 4.7 78.8 1.0 OH F:TYR82 4.7 94.2 1.0 CD2 H:HIS315 4.8 78.2 1.0 OH H:TYR130 5.0 0.1 1.0

P.R.Kumar, J.Bonanno, S.Chowdhury, R.Foti, A.Gizzi, S.Glen, J.Hammonds, B.Hillerich, B.Matikainen, R.Seidel, R.Toro, W.Zencheck, S.C.Almo. Crystal Structure of A Putative Mr/Ml Enzyme From Labrenzia Alexandrii Dfl-11 To Be Published.