Magnesium in PDB 1ne9: Crystal Structure of Weissella Viridescens Femx at 1.7 Ang Resolution

The structure of Crystal Structure of Weissella Viridescens Femx at 1.7 Ang Resolution, PDB code: 1ne9 was solved by S.Biarrotte-Sorin, A.P.Maillard, J.Delettre, W.Sougakoff, M.Arthur, C.Mayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.37 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.030, 99.920, 45.840, 90.00, 116.02, 90.00
R / Rfree (%)	17.6 / 20.9

The binding sites of Magnesium atom in the Crystal Structure of Weissella Viridescens Femx at 1.7 Ang Resolution (pdb code 1ne9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Weissella Viridescens Femx at 1.7 Ang Resolution, PDB code: 1ne9:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Weissella Viridescens Femx at 1.7 Ang Resolution


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 Weissella Viridescens Femx at 1.7 Ang Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg410 b:36.6 occ:1.00 O A:HOH509 2.7 26.0 1.0 O A:HOH468 2.8 21.9 1.0 O A:PHE308 3.0 13.3 1.0 N A:LYS310 3.1 18.4 1.0 CA A:VAL309 3.5 14.3 1.0 CD1 A:LEU150 3.6 18.4 1.0 CE2 A:TYR165 3.6 12.4 1.0 C A:PHE308 3.7 13.4 1.0 C A:VAL309 3.8 16.4 1.0 N A:VAL309 4.0 13.0 1.0 CB A:LYS310 4.1 22.9 1.0 CA A:LYS310 4.2 20.9 1.0 CD2 A:TYR165 4.2 13.6 1.0 O A:HOH722 4.3 35.7 1.0 CG A:LYS310 4.4 28.0 1.0 CZ A:TYR165 4.5 13.2 1.0 OH A:TYR165 4.6 10.3 1.0 N A:ASP311 4.7 19.8 1.0 O A:HOH467 4.7 37.6 1.0 O A:LEU164 4.7 11.3 1.0 CB A:VAL309 4.8 13.2 1.0 CA A:PHE308 4.9 13.5 1.0 CG A:LEU150 5.0 16.9 1.0 C A:LYS310 5.0 20.9 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Weissella Viridescens Femx at 1.7 Ang Resolution


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 Weissella Viridescens Femx at 1.7 Ang Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg631 b:27.6 occ:1.00 O A:THR64 2.5 12.8 1.0 O A:THR66 2.5 17.1 1.0 O A:HOH348 2.5 15.8 1.0 O A:HOH516 2.6 32.0 1.0 O A:HOH473 2.6 31.2 1.0 O A:HOH535 2.7 45.4 1.0 C A:THR64 3.6 13.3 1.0 C A:THR66 3.6 16.0 1.0 N A:THR66 4.0 15.9 1.0 N A:THR64 4.0 12.2 1.0 O A:HOH681 4.2 53.0 1.0 C A:PRO65 4.3 15.4 1.0 CA A:THR66 4.4 15.6 1.0 OG1 A:THR64 4.4 13.0 1.0 CA A:THR64 4.5 12.5 1.0 N A:PRO65 4.5 14.8 1.0 CA A:PRO65 4.5 15.3 1.0 N A:ASP67 4.6 17.6 1.0 CB A:ASP63 4.6 16.1 1.0 CA A:ASP67 4.7 19.3 1.0 OD1 A:ASP63 4.7 22.3 1.0 O A:PRO65 4.8 15.3 1.0 O A:LYS68 4.9 15.1 1.0 C A:ASP63 5.0 12.8 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Weissella Viridescens Femx at 1.7 Ang Resolution


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 Weissella Viridescens Femx at 1.7 Ang Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg756 b:28.7 occ:1.00 O A:LEU280 2.4 13.3 1.0 O A:HOH440 2.5 22.1 1.0 OD1 A:ASN283 2.6 25.8 1.0 O A:HOH576 2.6 33.5 1.0 O A:HOH392 2.7 36.3 1.0 C A:LEU280 3.5 13.4 1.0 CG A:ASN283 3.6 22.3 1.0 O A:HOH421 3.8 24.4 1.0 O A:HOH457 4.1 28.3 1.0 N A:ASN283 4.2 14.0 1.0 CA A:ASN283 4.2 14.7 1.0 CA A:LEU280 4.3 12.3 1.0 ND2 A:ASN283 4.4 26.3 1.0 CB A:ASN283 4.4 17.9 1.0 N A:ASP281 4.4 13.7 1.0 CA A:ASP281 4.6 14.2 1.0 O A:HOH435 4.7 20.8 1.0 C A:ASP281 4.7 14.8 1.0 O A:ALA158 4.7 19.1 1.0 CB A:LEU280 4.7 12.2 1.0 O A:ASP281 4.8 16.9 1.0 NZ A:LYS159 4.9 35.0 1.0 O A:HOH743 4.9 51.4 1.0

S.Biarrotte-Sorin, A.P.Maillard, J.Delettre, W.Sougakoff, M.Arthur, C.Mayer. Crystal Structures of Weissella Viridescens Femx and Its Complex with Udp-Murnac-Pentapeptide: Insights Into Femabx Family Substrates Recognition. Structure V. 12 257 2004.
ISSN: ISSN 0969-2126
PubMed: 14962386
DOI: 10.1016/J.STR.2004.01.006