Magnesium in PDB 2a84: Crystal Structure of A Pantothenate Synthetase Complexed with Atp

All present enzymatic activity of Crystal Structure of A Pantothenate Synthetase Complexed with Atp:
6.3.2.1;

The structure of Crystal Structure of A Pantothenate Synthetase Complexed with Atp, PDB code: 2a84 was solved by S.Wang, D.Eisenberg, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.953, 44.877, 82.125, 90.00, 125.26, 90.00
R / Rfree (%)	15 / 16.9

The binding sites of Magnesium atom in the Crystal Structure of A Pantothenate Synthetase Complexed with Atp (pdb code 2a84). 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 Pantothenate Synthetase Complexed with Atp, PDB code: 2a84:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Pantothenate Synthetase Complexed with Atp


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 Pantothenate Synthetase Complexed with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:23.6 occ:1.00 O A:HOH3013 2.0 24.2 1.0 O2B A:ATP2001 2.0 17.3 1.0 O A:HOH3203 2.1 24.6 1.0 O1G A:ATP2001 2.1 18.8 1.0 O2A A:ATP2001 2.3 21.3 1.0 O A:HOH3069 2.3 20.2 1.0 PB A:ATP2001 3.0 17.1 1.0 O3B A:ATP2001 3.2 17.8 1.0 PG A:ATP2001 3.2 18.1 1.0 PA A:ATP2001 3.4 17.3 1.0 O3A A:ATP2001 3.6 16.4 1.0 O5' A:ATP2001 3.9 17.1 1.0 O3G A:ATP2001 4.1 18.3 1.0 OD2 A:ASP161 4.1 25.1 1.0 O A:HOH3193 4.2 28.5 1.0 OD1 A:ASP161 4.2 25.0 1.0 CE A:MET40 4.2 36.9 1.0 NH2 A:ARG198 4.2 32.0 1.0 O3 A:GOL3001 4.3 29.1 1.0 O2G A:ATP2001 4.3 19.1 1.0 O1B A:ATP2001 4.4 18.3 1.0 CG A:ASP161 4.5 25.4 1.0 O A:HOH3090 4.5 23.8 1.0 NZ A:LYS160 4.5 42.9 1.0 C3 A:GOL3001 4.7 50.3 1.0 O1A A:ATP2001 4.7 16.5 1.0 OG A:SER196 4.9 29.1 1.0 CE A:LYS160 4.9 38.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Pantothenate Synthetase Complexed with Atp


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 Pantothenate Synthetase Complexed with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:52.9 occ:1.00 OD1 A:ASP88 2.1 51.9 1.0 OD1 A:ASP89 2.5 28.3 1.0 O A:HOH3233 2.5 44.2 1.0 NE2 A:GLN92 3.0 35.5 1.0 N A:ASP89 3.1 30.4 1.0 C A:ASP88 3.3 31.7 1.0 CG A:ASP88 3.3 46.1 1.0 CA A:ASP89 3.5 27.0 1.0 N A:ASP88 3.5 36.9 1.0 CG A:ASP89 3.5 30.8 1.0 CA A:ASP88 3.8 35.2 1.0 O A:ASP88 3.8 30.8 1.0 N A:LEU43 3.9 28.0 1.0 CB A:ASP89 4.1 27.0 1.0 O A:LEU43 4.1 27.7 1.0 CB A:ASP88 4.2 38.3 1.0 CD A:GLN92 4.2 32.2 1.0 OD2 A:ASP88 4.2 61.1 1.0 CB A:ASP87 4.4 48.0 1.0 CB A:LEU43 4.5 28.7 1.0 OD1 A:ASP87 4.6 39.5 1.0 OD2 A:ASP89 4.6 30.3 1.0 C A:ASP87 4.6 41.5 1.0 CG A:GLN92 4.6 32.8 1.0 C A:ALA42 4.6 29.8 1.0 CA A:LEU43 4.6 27.8 1.0 CA A:ALA42 4.7 28.1 1.0 C A:LEU43 4.8 26.5 1.0 C A:ASP89 4.9 27.1 1.0 CG A:ASP87 4.9 45.3 1.0 CA A:ASP87 5.0 46.6 1.0

S.Wang, D.Eisenberg. Crystal Structure of the Pantothenate Synthetase From Mycobacterium Tuberculosis, Snapshots of the Enzyme in Action. Biochemistry V. 45 1554 2006.
ISSN: ISSN 0006-2960
PubMed: 16460002
DOI: 10.1021/BI051873E