Magnesium in PDB 4ip2: Putative Aromatic Acid Decarboxylase

The structure of Putative Aromatic Acid Decarboxylase, PDB code: 4ip2 was solved by G.Schneider, K.Brunner, A.Izumi, A.Jacewicz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.30 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.850, 96.850, 301.481, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 24.8

The binding sites of Magnesium atom in the Putative Aromatic Acid Decarboxylase (pdb code 4ip2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Putative Aromatic Acid Decarboxylase, PDB code: 4ip2:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Putative Aromatic Acid Decarboxylase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Putative Aromatic Acid Decarboxylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:30.2 occ:1.00 O A:HOH690 2.0 28.5 1.0 OE2 A:GLU229 2.1 30.6 1.0 O A:HOH689 2.1 34.0 1.0 O A:HOH692 2.1 34.4 1.0 O A:HOH691 2.2 29.1 1.0 ND1 A:HIS188 2.4 31.9 1.0 CD A:GLU229 3.1 31.4 1.0 CE1 A:HIS188 3.2 32.5 1.0 OE1 A:GLU229 3.4 30.1 1.0 CG A:HIS188 3.5 32.4 1.0 CB A:HIS188 3.8 32.1 1.0 O A:HOH621 3.9 37.4 1.0 O A:VAL227 4.3 32.8 1.0 CG A:GLU229 4.4 31.1 1.0 OG A:SER165 4.4 30.1 1.0 NE2 A:HIS188 4.4 31.9 1.0 O A:LEU223 4.4 33.9 1.0 O A:HOH802 4.5 37.8 1.0 O A:TRP166 4.5 31.3 1.0 CZ2 A:TRP163 4.5 30.3 1.0 CD2 A:HIS188 4.5 32.1 1.0 CB A:LEU223 4.7 33.9 1.0 O A:PRO224 4.7 33.0 1.0 NE1 A:TRP163 4.8 30.9 1.0

Magnesium binding site 2 out of 3 in the Putative Aromatic Acid Decarboxylase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Putative Aromatic Acid Decarboxylase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:31.3 occ:1.00 OE2 B:GLU229 2.0 31.2 1.0 O B:HOH601 2.0 29.9 1.0 O B:HOH695 2.0 27.6 1.0 O B:HOH614 2.1 28.0 1.0 ND1 B:HIS188 2.2 31.9 1.0 O B:HOH694 2.3 30.2 1.0 CE1 B:HIS188 2.9 32.3 1.0 CD B:GLU229 3.0 33.5 1.0 OE1 B:GLU229 3.4 29.9 1.0 CG B:HIS188 3.5 31.4 1.0 CB B:HIS188 4.0 30.0 1.0 O B:HOH707 4.1 29.4 1.0 O B:VAL227 4.1 36.7 1.0 O B:HOH765 4.1 41.7 1.0 NE2 B:HIS188 4.1 32.0 1.0 CG B:GLU229 4.3 33.0 1.0 O B:LEU223 4.4 37.5 1.0 O B:TRP166 4.4 34.5 1.0 CD2 B:HIS188 4.4 31.9 1.0 CB B:LEU223 4.5 37.6 1.0 OG B:SER165 4.5 33.2 1.0 O B:PRO224 4.6 39.3 1.0 CZ2 B:TRP163 4.6 34.8 1.0 NE1 B:TRP163 4.8 36.0 1.0 C B:LEU223 4.9 37.5 1.0

Magnesium binding site 3 out of 3 in the Putative Aromatic Acid Decarboxylase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Putative Aromatic Acid Decarboxylase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg501 b:38.9 occ:1.00 O C:HOH641 1.8 36.6 1.0 OE1 C:GLU229 2.0 36.8 1.0 O C:HOH639 2.0 31.4 1.0 O C:HOH640 2.1 32.5 1.0 O C:HOH642 2.2 32.0 1.0 ND1 C:HIS188 2.5 48.5 1.0 CE1 C:HIS188 3.0 48.6 1.0 CD C:GLU229 3.1 33.3 1.0 OE2 C:GLU229 3.6 31.9 1.0 CG C:HIS188 3.6 47.7 1.0 O C:VAL227 3.9 40.9 1.0 O C:LEU223 4.1 48.7 1.0 CB C:HIS188 4.2 43.5 1.0 NE2 C:HIS188 4.2 50.6 1.0 CB C:LEU223 4.3 45.3 1.0 CG C:GLU229 4.4 34.9 1.0 CZ2 C:TRP163 4.4 37.8 1.0 O C:PRO224 4.5 50.7 1.0 CD2 C:HIS188 4.5 49.3 1.0 O C:TRP166 4.6 33.3 1.0 OG C:SER165 4.7 34.2 1.0 C C:LEU223 4.7 47.3 1.0 NE1 C:TRP163 4.7 36.5 1.0 O C:MET221 4.9 42.5 1.0 CA C:LEU223 4.9 47.4 1.0 N C:LEU223 4.9 47.6 1.0 CE2 C:TRP163 5.0 36.1 1.0

A.Jacewicz, A.Izumi, K.Brunner, R.Schnell, G.Schneider. Structural Insights Into the Ubid Protein Family From the Crystal Structure of PA0254 From Pseudomonas Aeruginosa. Plos One V. 8 63161 2013.
ISSN: ESSN 1932-6203
PubMed: 23671667
DOI: 10.1371/JOURNAL.PONE.0063161