Magnesium in PDB 7ri0: Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate

All present enzymatic activity of Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate:
4.2.1.11;

The structure of Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate, PDB code: 7ri0 was solved by S.Nguyen, J.B.Bruning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.50 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.858, 84.154, 84.909, 90, 98.04, 90
R / Rfree (%)	20.8 / 25.5

The binding sites of Magnesium atom in the Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate (pdb code 7ri0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate, PDB code: 7ri0:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:16.6 occ:1.00 OE2 A:GLU297 2.0 14.6 1.0 O2 A:2PG502 2.1 15.2 1.0 O A:HOH634 2.1 15.9 1.0 OD2 A:ASP322 2.2 16.2 1.0 OD2 A:ASP246 2.2 17.1 1.0 O1 A:2PG502 2.4 17.2 1.0 C1 A:2PG502 2.6 19.5 1.0 CG A:ASP246 3.0 15.1 1.0 OD1 A:ASP246 3.1 15.1 1.0 CD A:GLU297 3.2 15.5 1.0 CG A:ASP322 3.2 14.6 1.0 O A:HOH604 3.5 20.9 1.0 CB A:ASP322 3.6 11.7 1.0 NZ A:LYS398 3.7 15.6 1.0 OE1 A:GLU297 4.0 14.4 1.0 CD2 A:LEU345 4.0 10.5 1.0 CG A:GLU297 4.1 12.3 1.0 C2 A:2PG502 4.1 19.5 1.0 NZ A:LYS347 4.2 17.0 1.0 OD1 A:ASP322 4.3 13.3 1.0 OD2 A:ASP298 4.3 14.8 1.0 OE1 A:GLN167 4.3 21.7 1.0 CB A:ASP246 4.4 17.2 1.0 OE2 A:GLU168 4.6 19.1 1.0 CE A:LYS347 4.8 14.4 1.0 C3 A:2PG502 4.9 18.0 1.0 O1P A:2PG502 4.9 15.4 1.0 O3 A:2PG502 4.9 22.6 1.0

Magnesium binding site 2 out of 3 in the Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:28.1 occ:1.00 O B:HOH671 2.1 27.7 1.0 OD2 B:ASP246 2.1 29.1 1.0 OE2 B:GLU297 2.3 30.5 1.0 O2' B:PEP503 2.4 35.5 1.0 OD2 B:ASP322 2.7 28.4 1.0 O1 B:PEP503 2.8 30.7 1.0 CG B:ASP246 2.8 27.5 1.0 OD1 B:ASP246 2.9 29.6 1.0 C1 B:PEP503 3.0 32.1 1.0 CD B:GLU297 3.3 26.1 1.0 CG B:ASP322 3.6 24.3 1.0 O B:HOH676 3.8 31.5 1.0 O B:HOH639 3.8 34.1 1.0 OD2 B:ASP298 3.8 25.8 1.0 CB B:ASP322 3.8 22.1 1.0 NZ B:LYS398 4.0 23.9 1.0 CG B:GLU297 4.1 24.8 1.0 OE1 B:GLU297 4.2 32.1 1.0 CB B:ASP246 4.3 27.4 1.0 OE2 B:GLU168 4.3 29.5 1.0 C2 B:PEP503 4.5 27.4 1.0 CD2 B:LEU345 4.5 20.4 1.0 O B:HOH739 4.7 26.3 1.0 NE2 B:GLN167 4.7 22.6 1.0 NZ B:LYS347 4.7 17.9 1.0 OD1 B:ASP322 4.7 18.7 1.0 CG B:ASP298 4.7 22.1 1.0 CD B:GLU168 5.0 33.8 1.0 CB B:ALA248 5.0 24.6 1.0

Magnesium binding site 3 out of 3 in the Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Aspergillus Fumigatus Enolase Bound to Phosphoenolpyruvate and 2- Phosphoglycerate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:49.1 occ:1.00 O B:HOH676 2.1 31.5 1.0 O B:HOH838 2.1 36.3 1.0 O B:HOH698 2.1 29.0 1.0 O B:HOH739 2.1 26.3 1.0 O B:HOH601 2.2 28.0 1.0 O B:HOH639 2.5 34.1 1.0 O3P B:PEP503 3.9 37.5 1.0 OD2 B:ASP323 4.0 39.9 1.0 OE2 B:GLU251 4.1 41.3 1.0 O2' B:PEP503 4.1 35.5 1.0 O B:HOH916 4.3 34.9 1.0 NE2 B:GLN167 4.3 22.6 1.0 OE1 B:GLN167 4.4 24.7 1.0 OD1 B:ASP323 4.5 34.0 1.0 O B:HOH671 4.6 27.7 1.0 CG B:ASP323 4.7 30.8 1.0 CB B:ALA248 4.8 24.6 1.0 CD B:GLN167 4.8 32.2 1.0 O2P B:PEP503 4.8 32.8 1.0 P B:PEP503 4.8 32.1 1.0 O2 B:PEP503 4.9 35.1 1.0

S.Nguyen, B.Jovcevski, J.Q.Truong, T.L.Pukala, J.B.Bruning. A Structural Model of the Human Plasminogen and Aspergillus Fumigatus Enolase Complex. Proteins V. 90 1509 2022.
ISSN: ESSN 1097-0134
PubMed: 35247004
DOI: 10.1002/PROT.26331